69249616
  -OEChem-05072422132D

 77 81  0     1  0  0  0  0  0999 V2000
   10.9544    1.4400    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.9544    3.1720    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.8204   -0.7921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3116    4.9381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3564   -1.7920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9696    3.3457    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9544    1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0884   -1.7920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8204    4.6720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    3.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4544    2.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9544    3.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4544    2.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6276    4.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3268    2.5798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4544    0.5740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    4.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6428    4.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3420    2.7533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4544    0.5740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9544   -0.2921    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000    3.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0884   -0.7921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4544    0.5740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8204   -1.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9544   -2.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4544    0.5740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9544    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2224   -2.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9544    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4544    2.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2224   -3.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4544    2.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0884   -3.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3564   -3.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0884   -4.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3564   -4.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2224   -5.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9795    2.7045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9795    1.9075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5370    3.3841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8468    3.7826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3718    1.2280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0621    0.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9294    1.9075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9294    2.7045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2382    4.3930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6276    4.9054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1148    1.9971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8637    2.2697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8718    0.3619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5621   -0.0366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8548    5.0416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1059    4.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7314    2.6456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3421    2.1333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0370    0.7860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3468    1.1846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6015    4.1679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.3830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8764   -0.2094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4778   -0.8997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8204    5.2920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3574    4.3620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5559   -2.7670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3530   -2.7670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0325   -2.3747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4310   -1.6844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7644    0.0370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3344    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1444    2.8430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6253   -3.4820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8194   -3.4820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6253   -5.1020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8194   -5.1020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2224   -5.9120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  1  0  0  0  0
  2 34  1  0  0  0  0
  3 22  1  0  0  0  0
  3 26  1  0  0  0  0
  4 18  2  0  0  0  0
  5 30  2  0  0  0  0
  6 10  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 17  1  0  0  0  0
  8 24  1  0  0  0  0
  8 27  1  0  0  0  0
  8 30  1  0  0  0  0
  9 18  1  0  0  0  0
  9 64  1  0  0  0  0
  9 65  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 18  1  0  0  0  0
 11 13  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 14  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 14 46  1  0  0  0  0
 14 47  1  0  0  0  0
 15 19  1  0  0  0  0
 15 48  1  0  0  0  0
 15 49  1  0  0  0  0
 16 20  1  0  0  0  0
 16 50  1  0  0  0  0
 16 51  1  0  0  0  0
 17 21  1  0  0  0  0
 17 52  1  0  0  0  0
 17 53  1  0  0  0  0
 19 23  1  0  0  0  0
 19 54  1  0  0  0  0
 19 55  1  0  0  0  0
 20 23  1  0  0  0  0
 20 56  1  0  0  0  0
 20 57  1  0  0  0  0
 21 22  1  0  0  0  0
 21 58  1  0  0  0  0
 21 59  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 60  1  0  0  0  0
 23 61  1  0  0  0  0
 24 62  1  0  0  0  0
 24 63  1  0  0  0  0
 25 28  2  0  0  0  0
 25 29  1  0  0  0  0
 26 27  1  0  0  0  0
 26 68  1  0  0  0  0
 26 69  1  0  0  0  0
 27 66  1  0  0  0  0
 27 67  1  0  0  0  0
 28 31  1  0  0  0  0
 28 70  1  0  0  0  0
 29 32  2  0  0  0  0
 29 71  1  0  0  0  0
 30 33  1  0  0  0  0
 31 34  2  0  0  0  0
 32 34  1  0  0  0  0
 32 72  1  0  0  0  0
 33 35  2  0  0  0  0
 33 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 73  1  0  0  0  0
 36 38  2  0  0  0  0
 36 74  1  0  0  0  0
 37 39  2  0  0  0  0
 37 75  1  0  0  0  0
 38 39  1  0  0  0  0
 38 76  1  0  0  0  0
 39 77  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69249616

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
842

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7sAAGAAAAAAAAAAAAAAAAAAAAAAA8eLECAAAAAAABQAAAHgIQAAAADM7hmCYwAINABACIAiFSEACCAAAkBQAIikGIDsgKZjKB9zmXMQhmxgGYqYecyOCOhAAAIAAAAAQIAABAAAAACAAAAAAAAA==

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

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[2-[4-benzoyl-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-piperidin-1-ylpiperidine-4-carboxamide

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[2-[4-benzoyl-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-piperidino-isonipecotamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C30H38Cl2N4O3/c31-25-10-9-24(21-26(25)32)30(22-35(19-20-39-30)27(37)23-7-3-1-4-8-23)13-18-34-16-11-29(12-17-34,28(33)38)36-14-5-2-6-15-36/h1,3-4,7-10,21H,2,5-6,11-20,22H2,(H2,33,38)

> <PUBCHEM_IUPAC_INCHIKEY>
ASCJKFYWDHATTL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.2

> <PUBCHEM_EXACT_MASS>
572.2320965

> <PUBCHEM_MOLECULAR_FORMULA>
C30H38Cl2N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
573.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCN(CC1)C2(CCN(CC2)CCC3(CN(CCO3)C(=O)C4=CC=CC=C4)C5=CC(=C(C=C5)Cl)Cl)C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCN(CC1)C2(CCN(CC2)CCC3(CN(CCO3)C(=O)C4=CC=CC=C4)C5=CC(=C(C=C5)Cl)Cl)C(=O)N

> <PUBCHEM_CACTVS_TPSA>
79.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
572.2320965

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
39

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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>
22  21  3
25  28  8
25  29  8
28  31  8
29  32  8
31  34  8
32  34  8
33  35  8
33  36  8
35  37  8
36  38  8
37  39  8
38  39  8

$$$$