69835434
  -OEChem-04252408552D

 80 84  0     1  0  0  0  0  0999 V2000
   11.7305   -0.7106    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.0778    1.2590    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.1851   -0.6090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8191    0.7570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7210   -1.6090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8794    2.1470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8191    4.4890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3191    1.6230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4530   -1.6090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8191    2.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9530    2.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4530   -0.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 61  1  0  0  0  0
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 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
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 39 79  1  0  0  0  0
 40 80  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69835434

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
860

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7sAAGAAAAAAAAAAAAAAAAAAAAAAA8eLECAAAAAAABQAAAHgIQAAAADc7hmCYyAIPABACIAiFSEACCAAAkBQAIisGIDsgKZjKB9zmXMQhm1gGYqYecyOCOhAAAIAAAAAQIAABAAAAACAAAAAAAAA==

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

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHIKEY>
MPCIXGYCYJGNRJ-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>
CC(CNC(=O)C1(CCNCC1)N2CCCCC2)C3(CN(CCO3)C(=O)C4=CC=CC=C4)C5=CC(=C(C=C5)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(CNC(=O)C1(CCNCC1)N2CCCCC2)C3(CN(CCO3)C(=O)C4=CC=CC=C4)C5=CC(=C(C=C5)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
73.9

> <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>
2

> <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>
18  25  3
19  26  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

$$$$