N-methyl-N-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]cyclopentyl]benzamide;hydrochloride

C31H37ClN2O — CID 70026533

IUPACN-methyl-N-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]cyclopentyl]benzamide;hydrochloride
SMILESCN(C(=O)c1ccccc1)C1CC(CN2CCC(c3ccccc3)CC2)C(c2ccccc2)C1.Cl
InChIInChI=1S/C31H36N2O.ClH/c1-32(31(34)27-15-9-4-10-16-27)29-21-28(30(22-29)26-13-7-3-8-14-26)23-33-19-17-25(18-20-33)24-11-5-2-6-12-24;/h2-16,25,28-30H,17-23H2,1H3;1H
InChIKeyVOGSUHQTFMIPPV-UHFFFAOYSA-N
MW489.10 g/mol
LogP6.62
Rot. Bonds6

About N-methyl-N-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]cyclopentyl]benzamide;hydrochloride

N-methyl-N-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]cyclopentyl]benzamide;hydrochloride (PubChem CID 70026533) has the molecular formula C31H37ClN2O and a molecular weight of 489.10 g/mol. Its IUPAC name is N-methyl-N-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]cyclopentyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]cyclopentyl]benzamide;hydrochloride
PubChem CID70026533
Molecular FormulaC31H37ClN2O
Molecular Weight489.10 g/mol
Exact Mass488.26
IUPAC NameN-methyl-N-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]cyclopentyl]benzamide;hydrochloride
SMILESCN(C(=O)c1ccccc1)C1CC(CN2CCC(c3ccccc3)CC2)C(c2ccccc2)C1.Cl
InChIInChI=1S/C31H36N2O.ClH/c1-32(31(34)27-15-9-4-10-16-27)29-21-28(30(22-29)26-13-7-3-8-14-26)23-33-19-17-25(18-20-33)24-11-5-2-6-12-24;/h2-16,25,28-30H,17-23H2,1H3;1H
InChIKeyVOGSUHQTFMIPPV-UHFFFAOYSA-N
XLogP6.62
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.10
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]benzamide
CID 22982753
N-[3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzamide;hydrochloride
CID 70159263
benzyl N-[1-[[4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-butan-2-ylcarbamate
CID 70157140
N-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzamide;N-methyl-N-[(3S,4S)-3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]benzamide
CID 91356325
N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylcyclohexanecarboxamide;N-methyl-N-[(3S,4S)-3-[[4-[(4-methylphenyl)methylcarbamoyl-prop-2-enylamino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]benzamide
CID 91499440
tert-butyl N-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
CID 22982761
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylbenzamide;hydrochloride
CID 71758248
4-phenyl-1-[(2-phenylcyclopentyl)methyl]piperidine
CID 70259114
(4-methylphenyl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 70200360
N-[(3R)-3-[benzoyl(methyl)amino]cyclohexyl]-N-methylbenzamide
CID 143430707
benzyl N-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylcarbamate;benzyl N-methyl-N-[(3S,4S)-3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
CID 90747890
benzyl N-[1-[[4-[benzenesulfonyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-ethylcarbamate
CID 18345148

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]cyclopentyl]benzamide;hydrochloride?
The IUPAC name of N-methyl-N-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]cyclopentyl]benzamide;hydrochloride (CID 70026533) is N-methyl-N-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]cyclopentyl]benzamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]cyclopentyl]benzamide;hydrochloride?
The canonical SMILES for N-methyl-N-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]cyclopentyl]benzamide;hydrochloride is CN(C(=O)c1ccccc1)C1CC(CN2CCC(c3ccccc3)CC2)C(c2ccccc2)C1.Cl.
What is the InChIKey of N-methyl-N-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]cyclopentyl]benzamide;hydrochloride?
The InChIKey is VOGSUHQTFMIPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N2O.ClH/c1-32(31(34)27-15-9-4-10-16-27)29-21-28(30(22-29)26-13-7-3-8-14-26)23-33-19-17-25(18-20-33)24-11-5-2-6-12-24;/h2-16,25,28-30H,17-23H2,1H3;1H.
What are the key properties of N-methyl-N-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]cyclopentyl]benzamide;hydrochloride?
N-methyl-N-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]cyclopentyl]benzamide;hydrochloride has a molecular weight of 489.10 g/mol, XLogP of 6.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]cyclopentyl]benzamide;hydrochloride is sourced from PubChem (CID 70026533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).