N-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]benzamide

C34H42N2O — CID 22982753

IUPACN-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]benzamide
SMILESCN(C(=O)c1ccccc1)C1CC(CN2CCC(CCCc3ccccc3)CC2)C(c2ccccc2)C1
InChIInChI=1S/C34H42N2O/c1-35(34(37)30-18-9-4-10-19-30)32-24-31(33(25-32)29-16-7-3-8-17-29)26-36-22-20-28(21-23-36)15-11-14-27-12-5-2-6-13-27/h2-10,12-13,16-19,28,31-33H,11,14-15,20-26H2,1H3
InChIKeyKWOFCFGNNKDSRH-UHFFFAOYSA-N
MW494.72 g/mol
LogP7.06
Rot. Bonds9

About N-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]benzamide

N-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]benzamide (PubChem CID 22982753) has the molecular formula C34H42N2O and a molecular weight of 494.72 g/mol. Its IUPAC name is N-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]benzamide
PubChem CID22982753
Molecular FormulaC34H42N2O
Molecular Weight494.72 g/mol
Exact Mass494.33
IUPAC NameN-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]benzamide
SMILESCN(C(=O)c1ccccc1)C1CC(CN2CCC(CCCc3ccccc3)CC2)C(c2ccccc2)C1
InChIInChI=1S/C34H42N2O/c1-35(34(37)30-18-9-4-10-19-30)32-24-31(33(25-32)29-16-7-3-8-17-29)26-36-22-20-28(21-23-36)15-11-14-27-12-5-2-6-13-27/h2-10,12-13,16-19,28,31-33H,11,14-15,20-26H2,1H3
InChIKeyKWOFCFGNNKDSRH-UHFFFAOYSA-N
XLogP7.06
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.72
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
tert-butyl N-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
CID 22982761
N-methyl-N-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]cyclopentyl]benzamide;hydrochloride
CID 70026533
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
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
tert-butyl N-[(3S,4S)-3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
CID 59045486
2-[[(3S,4S)-3-[[4-[3-(4-cyanophenyl)propyl]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-(2-methylpropyl)amino]acetic acid
CID 163561576
(2R)-2-cyclopropyl-2-[(3S,4S)-3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid
CID 501059
2-[methyl-[(3R)-3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]amino]acetic acid
CID 153052530
(2R)-3-cyclobutyl-2-[(3S,4S)-3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid
CID 501062
benzene;benzyl N-methyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
CID 142032996

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]benzamide?
The IUPAC name of N-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]benzamide (CID 22982753) is N-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]benzamide.
What is the SMILES notation for N-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]benzamide?
The canonical SMILES for N-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]benzamide is CN(C(=O)c1ccccc1)C1CC(CN2CCC(CCCc3ccccc3)CC2)C(c2ccccc2)C1.
What is the InChIKey of N-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]benzamide?
The InChIKey is KWOFCFGNNKDSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N2O/c1-35(34(37)30-18-9-4-10-19-30)32-24-31(33(25-32)29-16-7-3-8-17-29)26-36-22-20-28(21-23-36)15-11-14-27-12-5-2-6-13-27/h2-10,12-13,16-19,28,31-33H,11,14-15,20-26H2,1H3.
What are the key properties of N-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]benzamide?
N-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]benzamide has a molecular weight of 494.72 g/mol, XLogP of 7.06, 9 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-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]benzamide is sourced from PubChem (CID 22982753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).