N-benzyl-1-(4-cyanobenzoyl)-4-methylpiperidine-4-carboxamide

C22H23N3O2 — CID 46326816

IUPACN-benzyl-1-(4-cyanobenzoyl)-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)NCc2ccccc2)CCN(C(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C22H23N3O2/c1-22(21(27)24-16-18-5-3-2-4-6-18)11-13-25(14-12-22)20(26)19-9-7-17(15-23)8-10-19/h2-10H,11-14,16H2,1H3,(H,24,27)
InChIKeyZGGHXLPSTWUGAE-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.12
Rot. Bonds4

About N-benzyl-1-(4-cyanobenzoyl)-4-methylpiperidine-4-carboxamide

N-benzyl-1-(4-cyanobenzoyl)-4-methylpiperidine-4-carboxamide (PubChem CID 46326816) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-benzyl-1-(4-cyanobenzoyl)-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4-cyanobenzoyl)-4-methylpiperidine-4-carboxamide
PubChem CID46326816
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-benzyl-1-(4-cyanobenzoyl)-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)NCc2ccccc2)CCN(C(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C22H23N3O2/c1-22(21(27)24-16-18-5-3-2-4-6-18)11-13-25(14-12-22)20(26)19-9-7-17(15-23)8-10-19/h2-10H,11-14,16H2,1H3,(H,24,27)
InChIKeyZGGHXLPSTWUGAE-UHFFFAOYSA-N
XLogP3.12
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-1-(4-cyanobenzoyl)-4-methylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methoxyphenyl)methyl]-4-methyl-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 52999111
N-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-4-methylpiperidine-4-carboxamide
CID 52999128
N-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 53117158
1-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-4-carboxamide
CID 52999112
(3S)-N-benzyl-1-(4-bromobenzoyl)-3-methylpiperidine-3-carboxamide
CID 95087595
4-cyano-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzamide
CID 30380859
N-benzyl-4-methyl-1-propan-2-ylpiperidine-4-carboxamide
CID 139362651
(3S)-1,3-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 125167077
N-benzyl-4-methyl-1-methylsulfonylpiperidine-4-carboxamide
CID 52999238
N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736
(3S)-1-[4-(acetamidomethyl)benzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124681968
4-N-benzyl-1-N-(4-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998873

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-cyanobenzoyl)-4-methylpiperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-(4-cyanobenzoyl)-4-methylpiperidine-4-carboxamide (CID 46326816) is N-benzyl-1-(4-cyanobenzoyl)-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(4-cyanobenzoyl)-4-methylpiperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-(4-cyanobenzoyl)-4-methylpiperidine-4-carboxamide is CC1(C(=O)NCc2ccccc2)CCN(C(=O)c2ccc(C#N)cc2)CC1.
What is the InChIKey of N-benzyl-1-(4-cyanobenzoyl)-4-methylpiperidine-4-carboxamide?
The InChIKey is ZGGHXLPSTWUGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-22(21(27)24-16-18-5-3-2-4-6-18)11-13-25(14-12-22)20(26)19-9-7-17(15-23)8-10-19/h2-10H,11-14,16H2,1H3,(H,24,27).
What are the key properties of N-benzyl-1-(4-cyanobenzoyl)-4-methylpiperidine-4-carboxamide?
N-benzyl-1-(4-cyanobenzoyl)-4-methylpiperidine-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-cyanobenzoyl)-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 46326816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).