1-(cyclopentanecarbonyl)-N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide

C28H36N2O2 — CID 155982821

IUPAC1-(cyclopentanecarbonyl)-N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCc1ccccc1-c1ccccc1CC1(C(=O)N(C)C)CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C28H36N2O2/c1-21-10-4-8-14-24(21)25-15-9-7-13-23(25)20-28(27(32)29(2)3)16-18-30(19-17-28)26(31)22-11-5-6-12-22/h4,7-10,13-15,22H,5-6,11-12,16-20H2,1-3H3
InChIKeyBYQZSWSOZZUSTC-UHFFFAOYSA-N
MW432.61 g/mol
LogP5.09
Rot. Bonds5

About 1-(cyclopentanecarbonyl)-N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide

1-(cyclopentanecarbonyl)-N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 155982821) has the molecular formula C28H36N2O2 and a molecular weight of 432.61 g/mol. Its IUPAC name is 1-(cyclopentanecarbonyl)-N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopentanecarbonyl)-N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID155982821
Molecular FormulaC28H36N2O2
Molecular Weight432.61 g/mol
Exact Mass432.28
IUPAC Name1-(cyclopentanecarbonyl)-N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCc1ccccc1-c1ccccc1CC1(C(=O)N(C)C)CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C28H36N2O2/c1-21-10-4-8-14-24(21)25-15-9-7-13-23(25)20-28(27(32)29(2)3)16-18-30(19-17-28)26(31)22-11-5-6-12-22/h4,7-10,13-15,22H,5-6,11-12,16-20H2,1-3H3
InChIKeyBYQZSWSOZZUSTC-UHFFFAOYSA-N
XLogP5.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.61
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-(2-methylcyclopropanecarbonyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 110247292
N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 92620707
1-(cyclobutanecarbonyl)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110230861
1-(cyclohex-3-ene-1-carbonyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155982797
1-(cyclobutanecarbonyl)-N,N-dimethyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231805
N,N-dimethyl-4-[(2-pyridin-4-ylphenyl)methyl]-1-(spiro[2.3]hexane-2-carbonyl)piperidine-4-carboxamide
CID 110083446
(3S)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidine-3-carboxamide
CID 92605155
N,N-dimethyl-1-(2-methylpropanoyl)-4-[(2-phenylphenyl)methyl]piperidine-4-carboxamide
CID 110083632
1-(cyclopropanecarbonyl)-N,N-dimethyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide
CID 110084041
N,N-dimethyl-1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 124994587
1-(cyclopentanecarbonyl)-N-ethyl-3-[[2-(2-fluorophenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110231007
N,N-dimethyl-1-(2-methylcyclopropanecarbonyl)-4-[[3-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 110247310

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentanecarbonyl)-N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopentanecarbonyl)-N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide (CID 155982821) is 1-(cyclopentanecarbonyl)-N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopentanecarbonyl)-N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopentanecarbonyl)-N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide is Cc1ccccc1-c1ccccc1CC1(C(=O)N(C)C)CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of 1-(cyclopentanecarbonyl)-N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is BYQZSWSOZZUSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O2/c1-21-10-4-8-14-24(21)25-15-9-7-13-23(25)20-28(27(32)29(2)3)16-18-30(19-17-28)26(31)22-11-5-6-12-22/h4,7-10,13-15,22H,5-6,11-12,16-20H2,1-3H3.
What are the key properties of 1-(cyclopentanecarbonyl)-N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide?
1-(cyclopentanecarbonyl)-N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 432.61 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentanecarbonyl)-N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 155982821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).