N-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide

C22H26N2O2 — CID 53117158

IUPACN-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C)(C(=O)NCc3ccccc3)C2)cc1
InChIInChI=1S/C22H26N2O2/c1-17-9-11-19(12-10-17)20(25)24-14-6-13-22(2,16-24)21(26)23-15-18-7-4-3-5-8-18/h3-5,7-12H,6,13-16H2,1-2H3,(H,23,26)
InChIKeyKHZYVBYBBDWAFY-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.55
Rot. Bonds4

About N-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide

N-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide (PubChem CID 53117158) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
PubChem CID53117158
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C)(C(=O)NCc3ccccc3)C2)cc1
InChIInChI=1S/C22H26N2O2/c1-17-9-11-19(12-10-17)20(25)24-14-6-13-22(2,16-24)21(26)23-15-18-7-4-3-5-8-18/h3-5,7-12H,6,13-16H2,1-2H3,(H,23,26)
InChIKeyKHZYVBYBBDWAFY-UHFFFAOYSA-N
XLogP3.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-benzyl-1-(4-bromobenzoyl)-3-methylpiperidine-3-carboxamide
CID 95087595
(3R)-3-methyl-1-(2-methylbenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 95087537
1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide
CID 53117404
(3R)-N-benzyl-1-(3-fluorobenzoyl)-3-methylpiperidine-3-carboxamide
CID 95087628
1-(3-methoxybenzoyl)-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 53117125
1-(4-fluorobenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117206
(3R)-1-(4-fluorobenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087682
(3S)-3-methyl-N-[(4-methylphenyl)methyl]-1-(3,4,5-triethoxybenzoyl)piperidine-3-carboxamide
CID 95087546
(3R)-N-benzyl-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 95087584
N-benzyl-1-butanoyl-3-methylpiperidine-3-carboxamide
CID 53011171
(3R)-N-benzyl-1-butanoyl-3-methylpiperidine-3-carboxamide
CID 93071246
1-butanoyl-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 53117140

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide (CID 53117158) is N-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide is Cc1ccc(C(=O)N2CCCC(C)(C(=O)NCc3ccccc3)C2)cc1.
What is the InChIKey of N-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The InChIKey is KHZYVBYBBDWAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-17-9-11-19(12-10-17)20(25)24-14-6-13-22(2,16-24)21(26)23-15-18-7-4-3-5-8-18/h3-5,7-12H,6,13-16H2,1-2H3,(H,23,26).
What are the key properties of N-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide?
N-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 53117158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).