1-(4-chlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclopentane-1-carboxamide

C31H35ClN2O3 — CID 90990967

IUPAC1-(4-chlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclopentane-1-carboxamide
SMILESCOc1ccccc1Oc1cccc(CN2CCC(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)CC2)c1
InChIInChI=1S/C31H35ClN2O3/c1-36-28-9-2-3-10-29(28)37-27-8-6-7-23(21-27)22-34-19-15-26(16-20-34)33-30(35)31(17-4-5-18-31)24-11-13-25(32)14-12-24/h2-3,6-14,21,26H,4-5,15-20,22H2,1H3,(H,33,35)
InChIKeyHXFIASRRAGXJKJ-UHFFFAOYSA-N
MW519.09 g/mol
LogP6.73
Rot. Bonds8

About 1-(4-chlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclopentane-1-carboxamide (PubChem CID 90990967) has the molecular formula C31H35ClN2O3 and a molecular weight of 519.09 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclopentane-1-carboxamide
PubChem CID90990967
Molecular FormulaC31H35ClN2O3
Molecular Weight519.09 g/mol
Exact Mass518.23
IUPAC Name1-(4-chlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclopentane-1-carboxamide
SMILESCOc1ccccc1Oc1cccc(CN2CCC(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)CC2)c1
InChIInChI=1S/C31H35ClN2O3/c1-36-28-9-2-3-10-29(28)37-27-8-6-7-23(21-27)22-34-19-15-26(16-20-34)33-30(35)31(17-4-5-18-31)24-11-13-25(32)14-12-24/h2-3,6-14,21,26H,4-5,15-20,22H2,1H3,(H,33,35)
InChIKeyHXFIASRRAGXJKJ-UHFFFAOYSA-N
XLogP6.73
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.09
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 91229708
1-(3-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 55945200
N-[1-[[3-(2-chlorophenoxy)phenyl]methyl]piperidin-4-yl]-1-ethyl-4-thiophen-3-ylpiperidine-4-carboxamide
CID 91588997
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylcyclobutane-1-carboxamide
CID 55979347
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 18121021
1-(3-bromophenyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 55957750
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988
N-(1-benzylpiperidin-4-yl)-4-phenyloxane-4-carboxamide
CID 39895770
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4-phenyloxane-4-carboxamide
CID 55979610
(3S)-1-[[3-(2-methoxyphenoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 162331548
3-acetamido-3-(4-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide
CID 55945836
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methoxy-5-methylbenzamide
CID 8590309

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclopentane-1-carboxamide (CID 90990967) is 1-(4-chlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclopentane-1-carboxamide is COc1ccccc1Oc1cccc(CN2CCC(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)CC2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclopentane-1-carboxamide?
The InChIKey is HXFIASRRAGXJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35ClN2O3/c1-36-28-9-2-3-10-29(28)37-27-8-6-7-23(21-27)22-34-19-15-26(16-20-34)33-30(35)31(17-4-5-18-31)24-11-13-25(32)14-12-24/h2-3,6-14,21,26H,4-5,15-20,22H2,1H3,(H,33,35).
What are the key properties of 1-(4-chlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclopentane-1-carboxamide has a molecular weight of 519.09 g/mol, XLogP of 6.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 90990967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).