10281897
  -OEChem-05112402022D

 80 84  0     1  0  0  0  0  0999 V2000
   10.9544    1.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.9544    2.9820    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.8204   -0.9821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3116    4.7481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3564   -1.9820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9696    3.1557    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9544    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8204    4.4820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0884   -1.9820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    2.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4544    2.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9544    2.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4544    2.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6276    4.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3268    2.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4544    0.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    3.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6428    4.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3420    2.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4544    0.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9544   -0.4821    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000    3.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0884   -0.9821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4544    0.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8204   -1.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9544   -2.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8204    5.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4544    0.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9544    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2224   -2.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9544    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4544    2.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2224   -3.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4544    2.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0884   -3.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3564   -3.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0884   -4.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3564   -4.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2224   -5.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9795    2.5146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9795    1.7175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5370    3.1941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8468    3.5926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3718    1.0380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0621    0.6394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9294    1.7175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2382    4.2030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6276    4.7154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1148    1.8071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8637    2.0797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8718    0.1719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5621   -0.2266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8548    4.8516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1059    4.5790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7314    2.4556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3421    1.9433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0370    0.5960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3468    0.9946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6015    3.9779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.1930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8764   -0.3994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4778   -1.0897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3574    4.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0325   -2.5647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4310   -1.8744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5559   -2.9570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3530   -2.9570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4404    5.4820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8204    6.1020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2004    5.4820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7644   -0.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3344    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1444    2.6530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6253   -3.6720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8194   -3.6720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6253   -5.2920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8194   -5.2920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2224   -6.1020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2 35  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 31  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 18  1  0  0  0  0
  8 28  1  0  0  0  0
  8 65  1  0  0  0  0
  9 24  1  0  0  0  0
  9 27  1  0  0  0  0
  9 31  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 41  1  0  0  0  0
 11 42  1  0  0  0  0
 12 14  1  0  0  0  0
 12 43  1  0  0  0  0
 12 44  1  0  0  0  0
 13 45  1  0  0  0  0
 13 46  1  0  0  0  0
 14 47  1  0  0  0  0
 14 48  1  0  0  0  0
 15 19  1  0  0  0  0
 15 49  1  0  0  0  0
 15 50  1  0  0  0  0
 16 20  1  0  0  0  0
 16 51  1  0  0  0  0
 16 52  1  0  0  0  0
 17 21  1  0  0  0  0
 17 53  1  0  0  0  0
 17 54  1  0  0  0  0
 19 23  1  0  0  0  0
 19 55  1  0  0  0  0
 19 56  1  0  0  0  0
 20 23  1  0  0  0  0
 20 57  1  0  0  0  0
 20 58  1  0  0  0  0
 21 22  1  0  0  0  0
 21 59  1  0  0  0  0
 21 60  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 61  1  0  0  0  0
 23 62  1  0  0  0  0
 24 63  1  0  0  0  0
 24 64  1  0  0  0  0
 25 29  2  0  0  0  0
 25 30  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 32  1  0  0  0  0
 29 73  1  0  0  0  0
 30 33  2  0  0  0  0
 30 74  1  0  0  0  0
 31 34  1  0  0  0  0
 32 35  2  0  0  0  0
 33 35  1  0  0  0  0
 33 75  1  0  0  0  0
 34 36  2  0  0  0  0
 34 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 76  1  0  0  0  0
 37 39  2  0  0  0  0
 37 77  1  0  0  0  0
 38 40  2  0  0  0  0
 38 78  1  0  0  0  0
 39 40  1  0  0  0  0
 39 79  1  0  0  0  0
 40 80  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10281897

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
858

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7sAAGAAAAAAAAAAAAAAAAAAAAAAA8eLECAAAAAAABQAAAHgIQAAAADM7hmCYyAIPABACIAiFSEACCAAAkBQAIisGIDsgKZjKB9zmXMQhmxgGYqYecyOCOhAAAIAAAAAQIAABAAAAACAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C31H40Cl2N4O3/c1-34-29(39)30(37-15-6-3-7-16-37)12-17-35(18-13-30)19-14-31(25-10-11-26(32)27(33)22-25)23-36(20-21-40-31)28(38)24-8-4-2-5-9-24/h2,4-5,8-11,22H,3,6-7,12-21,23H2,1H3,(H,34,39)

> <PUBCHEM_IUPAC_INCHIKEY>
RUJWQYSJGFFMCL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.6

> <PUBCHEM_EXACT_MASS>
586.2477465

> <PUBCHEM_MOLECULAR_FORMULA>
C31H40Cl2N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
587.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CNC(=O)C1(CCN(CC1)CCC2(CN(CCO2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)N5CCCCC5

> <PUBCHEM_OPENEYE_ISO_SMILES>
CNC(=O)C1(CCN(CC1)CCC2(CN(CCO2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)N5CCCCC5

> <PUBCHEM_CACTVS_TPSA>
65.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
586.2477465

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
40

> <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  29  8
25  30  8
29  32  8
30  33  8
32  35  8
33  35  8
34  36  8
34  37  8
36  38  8
37  39  8
38  40  8
39  40  8

$$$$