(3R)-3-methyl-1-(2-methylbenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide

C23H28N2O2 — CID 95087537

IUPAC(3R)-3-methyl-1-(2-methylbenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)[C@]2(C)CCCN(C(=O)c3ccccc3C)C2)cc1
InChIInChI=1S/C23H28N2O2/c1-17-9-11-19(12-10-17)15-24-22(27)23(3)13-6-14-25(16-23)21(26)20-8-5-4-7-18(20)2/h4-5,7-12H,6,13-16H2,1-3H3,(H,24,27)/t23-/m1/s1
InChIKeyBHQCSOSRHSAQLW-HSZRJFAPSA-N
MW364.49 g/mol
LogP3.86
Rot. Bonds4

About (3R)-3-methyl-1-(2-methylbenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide

(3R)-3-methyl-1-(2-methylbenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 95087537) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (3R)-3-methyl-1-(2-methylbenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-3-methyl-1-(2-methylbenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID95087537
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name(3R)-3-methyl-1-(2-methylbenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)[C@]2(C)CCCN(C(=O)c3ccccc3C)C2)cc1
InChIInChI=1S/C23H28N2O2/c1-17-9-11-19(12-10-17)15-24-22(27)23(3)13-6-14-25(16-23)21(26)20-8-5-4-7-18(20)2/h4-5,7-12H,6,13-16H2,1-3H3,(H,24,27)/t23-/m1/s1
InChIKeyBHQCSOSRHSAQLW-HSZRJFAPSA-N
XLogP3.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 53117158
(3S)-1-(2-chlorobenzoyl)-N-[(4-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087341
1-butanoyl-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 53117140
(3S)-1-(2-bromobenzoyl)-N-[(4-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087303
1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide
CID 53117404
(3R)-3-methyl-1-(3-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 95087371
(3S)-1-N-[(4-fluorophenyl)methyl]-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95088022
(3R)-3-methyl-3-N-[(4-methylphenyl)methyl]-1-N-propylpiperidine-1,3-dicarboxamide
CID 95088017
3-methyl-1-(3-methylbutanoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 53117136
1-(2-ethoxybenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 53011146
1-(3-methoxybenzoyl)-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 53117125
1-(2-ethoxybenzoyl)-N-[(4-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117030

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-(2-methylbenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-3-methyl-1-(2-methylbenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide (CID 95087537) is (3R)-3-methyl-1-(2-methylbenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-3-methyl-1-(2-methylbenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-3-methyl-1-(2-methylbenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide is Cc1ccc(CNC(=O)[C@]2(C)CCCN(C(=O)c3ccccc3C)C2)cc1.
What is the InChIKey of (3R)-3-methyl-1-(2-methylbenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is BHQCSOSRHSAQLW-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-17-9-11-19(12-10-17)15-24-22(27)23(3)13-6-14-25(16-23)21(26)20-8-5-4-7-18(20)2/h4-5,7-12H,6,13-16H2,1-3H3,(H,24,27)/t23-/m1/s1.
What are the key properties of (3R)-3-methyl-1-(2-methylbenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
(3R)-3-methyl-1-(2-methylbenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-(2-methylbenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 95087537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).