
 BDBM81829

 82 86  0  0  0  0  0  0  0  0999 V2000
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    5.0940    0.2676   -2.2382 C   0  0  0  0  0
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    6.0476   -1.7250   -3.5990 H   0  0  0  0  0
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    0.3466  -10.4897   -1.2528 H   0  0  0  0  0
    1.2450   -8.1375    1.3777 H   0  0  0  0  0
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    5.4133   -9.7223   -1.8124 H   0  0  0  0  0
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    3.4078   -7.4825   -1.3771 H   0  0  0  0  0
    3.3183  -10.4061   -5.3686 H   0  0  0  0  0
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M  END

>  <Chemical Name>
BDBM81829

>  <PubChem CID>
23626397

>  <Formula>
C31H43N5O3

>  <Molecular Weight>
533.717000

>  <IUPAC Name>
N-(4-methoxy-2-methylphenyl)-4-[3-[4-(2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]piperidine-1-carboxamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC=CC=C1N2CCN(CC2)C(=O)C3CCCN(C3)C4CCN(CC4)C(=O)NC5=C(C=C(C=C5)OC)C

>  <Isomeric SMILES>
CC1=CC=CC=C1N2CCN(CC2)C(=O)C3CCCN(C3)C4CCN(CC4)C(=O)NC5=C(C=C(C=C5)OC)C

>  <InChI Std. ID>
InChI=1S/C31H43N5O3/c1-23-7-4-5-9-29(23)33-17-19-34(20-18-33)30(37)25-8-6-14-36(22-25)26-12-15-35(16-13-26)31(38)32-28-11-10-27(39-3)21-24(28)2/h4-5,7,9-11,21,25-26H,6,8,12-20,22H2,1-3H3,(H,32,38)

>  <InChI Key>
DDBQYBZMKQDLNZ-UHFFFAOYSA-N

