N-[(3-chlorophenyl)methyl]-3-(4-phenylpiperidin-1-yl)-1-propan-2-ylcyclopentane-1-carboxamide

C27H35ClN2O — CID 10274899

IUPACN-[(3-chlorophenyl)methyl]-3-(4-phenylpiperidin-1-yl)-1-propan-2-ylcyclopentane-1-carboxamide
SMILESCC(C)C1(C(=O)NCc2cccc(Cl)c2)CCC(N2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C27H35ClN2O/c1-20(2)27(26(31)29-19-21-7-6-10-24(28)17-21)14-11-25(18-27)30-15-12-23(13-16-30)22-8-4-3-5-9-22/h3-10,17,20,23,25H,11-16,18-19H2,1-2H3,(H,29,31)
InChIKeyBGZDJGDOUATIKN-UHFFFAOYSA-N
MW439.04 g/mol
LogP6.03
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-3-(4-phenylpiperidin-1-yl)-1-propan-2-ylcyclopentane-1-carboxamide

N-[(3-chlorophenyl)methyl]-3-(4-phenylpiperidin-1-yl)-1-propan-2-ylcyclopentane-1-carboxamide (PubChem CID 10274899) has the molecular formula C27H35ClN2O and a molecular weight of 439.04 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-(4-phenylpiperidin-1-yl)-1-propan-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-(4-phenylpiperidin-1-yl)-1-propan-2-ylcyclopentane-1-carboxamide
PubChem CID10274899
Molecular FormulaC27H35ClN2O
Molecular Weight439.04 g/mol
Exact Mass438.24
IUPAC NameN-[(3-chlorophenyl)methyl]-3-(4-phenylpiperidin-1-yl)-1-propan-2-ylcyclopentane-1-carboxamide
SMILESCC(C)C1(C(=O)NCc2cccc(Cl)c2)CCC(N2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C27H35ClN2O/c1-20(2)27(26(31)29-19-21-7-6-10-24(28)17-21)14-11-25(18-27)30-15-12-23(13-16-30)22-8-4-3-5-9-22/h3-10,17,20,23,25H,11-16,18-19H2,1-2H3,(H,29,31)
InChIKeyBGZDJGDOUATIKN-UHFFFAOYSA-N
XLogP6.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.04
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide
CID 10139328
N-[(5-chloro-2-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide
CID 10206459
[(1R)-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]cyclobutyl]-[3-(4-phenylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]methanone
CID 162548986
benzyl N-[5-[1-[(1R,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamoyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]-1,3-thiazol-2-yl]carbamate
CID 10101202
(1S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(2-hydroxypropan-2-yl)-3-(4-phenylpiperidin-1-yl)cyclopentane-1-carboxamide
CID 59049976
trans-(1S,3R)-3-[4-(2-amino-1,3-thiazol-5-yl)piperidin-1-yl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide
CID 10053587
N-[(5-chloro-3-pyridinyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide
CID 166797290
methyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate
CID 59049917
(3S,4R)-4-[(3-chlorophenyl)methylcarbamoyl]-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 110203761
1-[(3-chlorophenyl)methylcarbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83064334
3-[1-[(1R,3S)-3-[6,8-bis(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid
CID 58617150
(1R,5S)-N-[2-(3-chlorophenyl)ethyl]-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 66550489

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-(4-phenylpiperidin-1-yl)-1-propan-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-(4-phenylpiperidin-1-yl)-1-propan-2-ylcyclopentane-1-carboxamide (CID 10274899) is N-[(3-chlorophenyl)methyl]-3-(4-phenylpiperidin-1-yl)-1-propan-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-(4-phenylpiperidin-1-yl)-1-propan-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-(4-phenylpiperidin-1-yl)-1-propan-2-ylcyclopentane-1-carboxamide is CC(C)C1(C(=O)NCc2cccc(Cl)c2)CCC(N2CCC(c3ccccc3)CC2)C1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-(4-phenylpiperidin-1-yl)-1-propan-2-ylcyclopentane-1-carboxamide?
The InChIKey is BGZDJGDOUATIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35ClN2O/c1-20(2)27(26(31)29-19-21-7-6-10-24(28)17-21)14-11-25(18-27)30-15-12-23(13-16-30)22-8-4-3-5-9-22/h3-10,17,20,23,25H,11-16,18-19H2,1-2H3,(H,29,31).
What are the key properties of N-[(3-chlorophenyl)methyl]-3-(4-phenylpiperidin-1-yl)-1-propan-2-ylcyclopentane-1-carboxamide?
N-[(3-chlorophenyl)methyl]-3-(4-phenylpiperidin-1-yl)-1-propan-2-ylcyclopentane-1-carboxamide has a molecular weight of 439.04 g/mol, XLogP of 6.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-(4-phenylpiperidin-1-yl)-1-propan-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 10274899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).