4-(4-chlorophenyl)-N-[1-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]piperidin-4-yl]benzamide

C32H38ClN3O2 — CID 44532925

IUPAC4-(4-chlorophenyl)-N-[1-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]piperidin-4-yl]benzamide
SMILESCOc1cccc(C2CCN(CCN3CCC(NC(=O)c4ccc(-c5ccc(Cl)cc5)cc4)CC3)CC2)c1
InChIInChI=1S/C32H38ClN3O2/c1-38-31-4-2-3-28(23-31)26-13-17-35(18-14-26)21-22-36-19-15-30(16-20-36)34-32(37)27-7-5-24(6-8-27)25-9-11-29(33)12-10-25/h2-12,23,26,30H,13-22H2,1H3,(H,34,37)
InChIKeyIDINOJQYORVIHD-UHFFFAOYSA-N
MW532.13 g/mol
LogP6.09
Rot. Bonds8

About 4-(4-chlorophenyl)-N-[1-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]piperidin-4-yl]benzamide

4-(4-chlorophenyl)-N-[1-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]piperidin-4-yl]benzamide (PubChem CID 44532925) has the molecular formula C32H38ClN3O2 and a molecular weight of 532.13 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[1-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[1-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]piperidin-4-yl]benzamide
PubChem CID44532925
Molecular FormulaC32H38ClN3O2
Molecular Weight532.13 g/mol
Exact Mass531.27
IUPAC Name4-(4-chlorophenyl)-N-[1-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]piperidin-4-yl]benzamide
SMILESCOc1cccc(C2CCN(CCN3CCC(NC(=O)c4ccc(-c5ccc(Cl)cc5)cc4)CC3)CC2)c1
InChIInChI=1S/C32H38ClN3O2/c1-38-31-4-2-3-28(23-31)26-13-17-35(18-14-26)21-22-36-19-15-30(16-20-36)34-32(37)27-7-5-24(6-8-27)25-9-11-29(33)12-10-25/h2-12,23,26,30H,13-22H2,1H3,(H,34,37)
InChIKeyIDINOJQYORVIHD-UHFFFAOYSA-N
XLogP6.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.13
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Ethyl-4-[(3-methoxy-phenyl)-(8-phenethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-methyl]-benzamide
CID 44307198
4-[(4-chlorobenzoyl)amino]-N-[4-[4-(4-ethyl-2-methoxyphenyl)piperidin-1-yl]butyl]benzamide
CID 10280738
4'-Chloro-biphenyl-4-carboxylic acid-[2-(3-methoxy-4-pyrrolidin-1-ylmethyl-phenyl)-ethyl]-amide
CID 10433825
4-((alpha-R)-alpha-((2S,5R)-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-N,N-diethylbenzamide
CID 10573581
N,N-diethyl-4-[(3-methoxyphenyl)(2,5,5-trimethylpiperazin-1-yl)methyl]benzamide
CID 10598391
N,N-Diethyl-4-[(3-methoxy-phenyl)-(2,2,5-trimethyl-piperazin-1-yl)-methyl]-benzamide
CID 10598392
N-[1-[[3-(2-chlorophenoxy)phenyl]methyl]piperidin-4-yl]-1-ethyl-4-phenylpiperidine-4-carboxamide
CID 11526626
1-(4-chlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclohexane-1-carboxamide
CID 11541073
2-(4-Chloro-phenyl)-N-[2-(4-cyclohexyl-piperazin-1-yl)-2-(2-methoxy-phenyl)-ethyl]-acetamide
CID 21994241
4-(4-chlorophenyl)-3-hydroxy-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide
CID 44527009
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)benzamide;hydrochloride
CID 45482436
2-chloro-N-[(3-methoxyphenyl)-(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)methyl]-3-(trifluoromethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[1-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]piperidin-4-yl]benzamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[1-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]piperidin-4-yl]benzamide (CID 44532925) is 4-(4-chlorophenyl)-N-[1-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[1-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[1-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]piperidin-4-yl]benzamide is COc1cccc(C2CCN(CCN3CCC(NC(=O)c4ccc(-c5ccc(Cl)cc5)cc4)CC3)CC2)c1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[1-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]piperidin-4-yl]benzamide?
The InChIKey is IDINOJQYORVIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38ClN3O2/c1-38-31-4-2-3-28(23-31)26-13-17-35(18-14-26)21-22-36-19-15-30(16-20-36)34-32(37)27-7-5-24(6-8-27)25-9-11-29(33)12-10-25/h2-12,23,26,30H,13-22H2,1H3,(H,34,37).
What are the key properties of 4-(4-chlorophenyl)-N-[1-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]piperidin-4-yl]benzamide?
4-(4-chlorophenyl)-N-[1-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]piperidin-4-yl]benzamide has a molecular weight of 532.13 g/mol, XLogP of 6.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[1-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 44532925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).