1-benzoyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide

C27H28N2O2 — CID 129456727

IUPAC1-benzoyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCc1ccccc1-c1ccccc1CC1(C(N)=O)CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C27H28N2O2/c1-20-9-5-7-13-23(20)24-14-8-6-12-22(24)19-27(26(28)31)15-17-29(18-16-27)25(30)21-10-3-2-4-11-21/h2-14H,15-19H2,1H3,(H2,28,31)
InChIKeyMTOCXTVEQFBZIX-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.61
Rot. Bonds5

About 1-benzoyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide

1-benzoyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 129456727) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is 1-benzoyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID129456727
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC Name1-benzoyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCc1ccccc1-c1ccccc1CC1(C(N)=O)CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C27H28N2O2/c1-20-9-5-7-13-23(20)24-14-8-6-12-22(24)19-27(26(28)31)15-17-29(18-16-27)25(30)21-10-3-2-4-11-21/h2-14H,15-19H2,1H3,(H2,28,31)
InChIKeyMTOCXTVEQFBZIX-UHFFFAOYSA-N
XLogP4.61
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylbutanoyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 110083663
(3R)-1-benzoyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 92561151
4-[[2-(1-acetylpiperidin-3-yl)phenyl]methyl]-1-benzoylpiperidine-4-carboxamide
CID 110262588
1-(3-fluorobenzoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 92620740
N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 92620707
N-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 92620700
N-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide
CID 92620703
1-benzoyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110243797
N,N-dimethyl-1-(2-methylcyclopropanecarbonyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 110247292
1-(cyclopentanecarbonyl)-N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 155982821
(3S)-1-benzoyl-N-methyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 92561153
1-butanoyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083470

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzoyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide (CID 129456727) is 1-benzoyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzoyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzoyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide is Cc1ccccc1-c1ccccc1CC1(C(N)=O)CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-benzoyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is MTOCXTVEQFBZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-20-9-5-7-13-23(20)24-14-8-6-12-22(24)19-27(26(28)31)15-17-29(18-16-27)25(30)21-10-3-2-4-11-21/h2-14H,15-19H2,1H3,(H2,28,31).
What are the key properties of 1-benzoyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide?
1-benzoyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 129456727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).