69045311
  -OEChem-05221300322D

 83 87  0     1  0  0  0  0  0999 V2000
   10.5000    2.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.5000    4.2320    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.3660    0.2679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9019   -0.7321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    2.5000    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.0000   -0.3660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6340   -0.7321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    2.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0000    3.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    3.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    1.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1340    1.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660    1.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    4.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    4.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    1.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    0.7679    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1340    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6340    0.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000    1.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3660   -0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    1.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7680   -1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000    3.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7680   -2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    3.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6340   -2.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9019   -2.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6340   -3.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9019   -3.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7680   -4.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1900    1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4750    2.9675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4750    3.7646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5250    3.7646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5250    2.9675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4174    1.4219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1077    1.0234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4766    1.0263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0781    1.7166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9219    1.7166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5234    1.0263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0826    4.4441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3923    4.8426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6077    4.8426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9174    4.4441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5826    1.8460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8923    2.2446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0781   -0.4486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4766    0.2416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5234    0.2416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9219   -0.4486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.9860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4219    0.8506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0234    0.1603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5781   -1.3147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9766   -0.6244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1015   -1.7070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8985   -1.7070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    3.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    3.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.0560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.9440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.0970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.3240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3100    1.0970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8800    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6900    3.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1709   -2.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3650   -2.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1709   -4.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3650   -4.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7680   -4.8520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 33  1  0  0  0  0
  2 36  1  0  0  0  0
  3 20  1  0  0  0  0
  3 26  1  0  0  0  0
  4 23  2  0  0  0  0
  5 32  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 13  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 63  1  0  0  0  0
  8 23  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 24  1  0  0  0  0
  9 27  1  0  0  0  0
  9 32  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 42  1  0  0  0  0
 12 17  1  0  0  0  0
 12 43  1  0  0  0  0
 12 44  1  0  0  0  0
 13 18  1  0  0  0  0
 13 45  1  0  0  0  0
 13 46  1  0  0  0  0
 14 19  1  0  0  0  0
 14 47  1  0  0  0  0
 14 48  1  0  0  0  0
 15 21  1  0  0  0  0
 15 51  1  0  0  0  0
 15 52  1  0  0  0  0
 16 22  1  0  0  0  0
 16 49  1  0  0  0  0
 16 50  1  0  0  0  0
 17 18  1  0  0  0  0
 17 53  1  0  0  0  0
 17 54  1  0  0  0  0
 18 55  1  0  0  0  0
 18 56  1  0  0  0  0
 20 19  1  6  0  0  0
 19 57  1  0  0  0  0
 19 58  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 61  1  0  0  0  0
 21 62  1  0  0  0  0
 22 59  1  0  0  0  0
 22 60  1  0  0  0  0
 24 64  1  0  0  0  0
 24 65  1  0  0  0  0
 25 30  2  0  0  0  0
 25 31  1  0  0  0  0
 26 27  1  0  0  0  0
 26 66  1  0  0  0  0
 26 67  1  0  0  0  0
 27 68  1  0  0  0  0
 27 69  1  0  0  0  0
 28 70  1  0  0  0  0
 28 71  1  0  0  0  0
 28 72  1  0  0  0  0
 29 73  1  0  0  0  0
 29 74  1  0  0  0  0
 29 75  1  0  0  0  0
 30 33  1  0  0  0  0
 30 76  1  0  0  0  0
 31 34  2  0  0  0  0
 31 77  1  0  0  0  0
 32 35  1  0  0  0  0
 33 36  2  0  0  0  0
 34 36  1  0  0  0  0
 34 78  1  0  0  0  0
 35 37  2  0  0  0  0
 35 38  1  0  0  0  0
 37 39  1  0  0  0  0
 37 79  1  0  0  0  0
 38 40  2  0  0  0  0
 38 80  1  0  0  0  0
 39 41  2  0  0  0  0
 39 81  1  0  0  0  0
 40 41  1  0  0  0  0
 40 82  1  0  0  0  0
 41 83  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69045311

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
894

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB/sAAGAAAAAAAAAAAAAAAAAAAAAAA8eLECAAAAAAABQAAAHgIQAAAADO7hmCYyAIPABACIAiFSEACCAAAkBQAIisGIDsgKZjKB9zmXMQhk1gGYqYe8yOCOhAAAIAAAAAQIAABAAAAACAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[2-[2-[(2R)-4-benzoyl-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-1-piperidyl]-N,N-dimethyl-piperidine-4-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-[2-[2-[(2R)-4-benzoyl-2-(3,4-dichlorophenyl)-2-morpholinyl]ethyl]-1-piperidinyl]-N,N-dimethyl-4-piperidinecarboxamide

> <PUBCHEM_IUPAC_NAME>
4-[2-[2-[(2R)-4-benzoyl-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]piperidin-1-yl]-N,N-dimethylpiperidine-4-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[2-[2-[(2R)-2-(3,4-dichlorophenyl)-4-(phenylcarbonyl)morpholin-2-yl]ethyl]piperidin-1-yl]-N,N-dimethyl-piperidine-4-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[2-[2-[(2R)-4-benzoyl-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]piperidino]-N,N-dimethyl-isonipecotamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C32H42Cl2N4O3/c1-36(2)30(40)31(15-17-35-18-16-31)38-19-7-6-10-26(38)13-14-32(25-11-12-27(33)28(34)22-25)23-37(20-21-41-32)29(39)24-8-4-3-5-9-24/h3-5,8-9,11-12,22,26,35H,6-7,10,13-21,23H2,1-2H3/t26?,32-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
GMHQLVPQELWANC-AKWYTYQQSA-N

> <PUBCHEM_XLOGP3_AA>
4.7

> <PUBCHEM_EXACT_MASS>
600.263397

> <PUBCHEM_MOLECULAR_FORMULA>
C32H42Cl2N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
601.60688

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)C(=O)C1(CCNCC1)N2CCCCC2CCC3(CN(CCO3)C(=O)C4=CC=CC=C4)C5=CC(=C(C=C5)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)C(=O)C1(CCNCC1)N2CCCCC2CC[C@]3(CN(CCO3)C(=O)C4=CC=CC=C4)C5=CC(=C(C=C5)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
65.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
600.263397

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
41

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  14  3
20  19  6
25  30  8
25  31  8
30  33  8
31  34  8
33  36  8
34  36  8
35  37  8
35  38  8
37  39  8
38  40  8
39  41  8
40  41  8

$$$$