19692471
  -OEChem-04232403582D

 80 83  0     1  0  0  0  0  0999 V2000
   10.6200    7.3520    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6200    9.0841    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8775   12.4871    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1200    6.4860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    5.3520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2181    4.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    7.3520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7540    6.8520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4860    4.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    7.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1200    8.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1200    6.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6200    5.6200    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1200    8.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1200    6.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7540    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4860    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6200    7.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1200    8.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7540    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1200    6.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6200    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1200    6.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1200    8.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    9.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7540    5.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3520    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1200    6.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6200    7.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    9.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1200    9.9501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3520    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6200    7.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1200    8.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8879    5.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1200    9.9501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1200    8.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2181    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4860    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2181    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4860    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3520    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2277    8.8287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5374    8.4301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0966    5.0123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2277    5.8754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1340    6.8520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2215    3.1450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0185    3.1450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8101    7.6812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2400    9.0841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4300    5.9491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    7.3520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4300   10.4871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8100    8.7550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5779    5.8890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1980    4.8151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8100   10.4871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7550    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8775   12.4871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 37  1  0  0  0  0
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  4 13  1  0  0  0  0
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 16 20  1  0  0  0  0
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 18 21  1  0  0  0  0
 18 55  1  0  0  0  0
 18 56  1  0  0  0  0
 19 24  2  0  0  0  0
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 28 66  1  0  0  0  0
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 38 75  1  0  0  0  0
 39 41  2  0  0  0  0
 39 76  1  0  0  0  0
 40 42  2  0  0  0  0
 40 77  1  0  0  0  0
 41 42  1  0  0  0  0
 41 78  1  0  0  0  0
 42 79  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
19692471

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
870

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB/MAAGAAAAAAAAAAAAAAAAAAAAAAA8eMECAAAAAAABUAAAHgIQAAAADM7hmCYyAIPABACIAiFSEACCAAAkBQAIikEIDsgKJjKB9xmHMQhk1gGYqYe4yOCOhAAAIAAAAAQIAABAAAAACAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[1-[2-[[1-benzoyl-3-(3,4-dichlorophenyl)-3-piperidyl]oxy]ethyl]-4-phenyl-4-piperidyl]acetamide;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
N-[1-[2-[[1-benzoyl-3-(3,4-dichlorophenyl)-3-piperidinyl]oxy]ethyl]-4-phenyl-4-piperidinyl]acetamide;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[1-[2-[1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl]acetamide;hydrochloride

> <PUBCHEM_IUPAC_NAME>
N-[1-[2-[1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl]acetamide;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[1-[2-[3-(3,4-dichlorophenyl)-1-(phenylcarbonyl)piperidin-3-yl]oxyethyl]-4-phenyl-piperidin-4-yl]ethanamide;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[1-[2-[[1-benzoyl-3-(3,4-dichlorophenyl)-3-piperidyl]oxy]ethyl]-4-phenyl-4-piperidyl]acetamide;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C33H37Cl2N3O3.ClH/c1-25(39)36-32(27-11-6-3-7-12-27)16-19-37(20-17-32)21-22-41-33(28-13-14-29(34)30(35)23-28)15-8-18-38(24-33)31(40)26-9-4-2-5-10-26;/h2-7,9-14,23H,8,15-22,24H2,1H3,(H,36,39);1H

> <PUBCHEM_IUPAC_INCHIKEY>
KQLXXPROGRXLOK-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
629.197875

> <PUBCHEM_MOLECULAR_FORMULA>
C33H38Cl3N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
631.0

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)NC1(CCN(CC1)CCOC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)NC1(CCN(CC1)CCOC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5.Cl

> <PUBCHEM_CACTVS_TPSA>
61.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
629.197875

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
42

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
19  24  8
19  25  8
23  28  8
23  29  8
24  30  8
25  31  8
28  33  8
29  34  8
30  36  8
31  36  8
32  38  8
32  39  8
33  37  8
34  37  8
38  40  8
39  41  8
13  4  3
40  42  8
41  42  8

$$$$