67565049
  -OEChem-04252421142D

 84 86  0     1  0  0  0  0  0999 V2000
    7.9860    1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7181    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4037    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.1947    6.4037    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7936   12.3508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5219    9.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5841    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8860   11.1428    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1200    8.5000    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    8.8520    5.5000    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.3880    7.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1200   10.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2540   10.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9860   10.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2540    9.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.9860    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8257   10.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7124   12.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6200   11.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5918   11.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4784   12.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1200    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4181   12.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3880    8.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9860    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6200   11.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9860    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1200   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1200   12.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8520    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7181    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7181    4.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.5841    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1200   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1200   12.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200   11.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7181    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8520    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5841    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8520    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5841    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7181    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9249    7.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2415    4.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6400    3.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1166    6.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3196    6.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1811    3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1210    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1947    6.4037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 42  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
67565049

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
852

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7sAAHAAAAAAAAAAAAAAAAAAAAAAA8eLECAAAAAAABQAAAHgIQAAAADL7hmCYwAINABACIAqFSEAACAAAkBQAIikGICsgKZjKB9zmXMQAk0AGYqYecy+CuBAAAIAAAAAQIAABAAAAACAAAAAAAAA==

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

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

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

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-benzoyl-1-[3-[2-(3,4-dichlorophenyl)morpholino]propyl]-4-piperidino-pipecolinamide;dihydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C31H40Cl2N4O3.2ClH/c32-25-11-10-24(20-26(25)33)28-22-35(18-19-40-28)13-7-14-36-17-12-31(21-27(36)30(34)39,37-15-5-2-6-16-37)29(38)23-8-3-1-4-9-23;;/h1,3-4,8-11,20,27-28H,2,5-7,12-19,21-22H2,(H2,34,39);2*1H

> <PUBCHEM_IUPAC_INCHIKEY>
HNGLWCGTPNVQFM-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
660.198152

> <PUBCHEM_MOLECULAR_FORMULA>
C31H42Cl4N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
660.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCN(CC1)C2(CCN(C(C2)C(=O)N)CCCN3CCOC(C3)C4=CC(=C(C=C4)Cl)Cl)C(=O)C5=CC=CC=C5.Cl.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCN(CC1)C2(CCN(C(C2)C(=O)N)CCCN3CCOC(C3)C4=CC(=C(C=C4)Cl)Cl)C(=O)C5=CC=CC=C5.Cl.Cl

> <PUBCHEM_CACTVS_TPSA>
79.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
658.201102

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
42

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  19  3
15  24  3
26  28  8
26  29  8
28  34  8
29  35  8
32  37  3
34  36  8
35  36  8
37  38  8
37  39  8
38  40  8
39  41  8
40  42  8
41  42  8

$$$$