1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide

C20H23ClN2O — CID 53284862

IUPAC1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C20H23ClN2O/c1-15-5-7-19(8-6-15)22-20(24)17-9-11-23(12-10-17)14-16-3-2-4-18(21)13-16/h2-8,13,17H,9-12,14H2,1H3,(H,22,24)
InChIKeyXKXAIZGKGZDJJU-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.50
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide

1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide (PubChem CID 53284862) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
PubChem CID53284862
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C20H23ClN2O/c1-15-5-7-19(8-6-15)22-20(24)17-9-11-23(12-10-17)14-16-3-2-4-18(21)13-16/h2-8,13,17H,9-12,14H2,1H3,(H,22,24)
InChIKeyXKXAIZGKGZDJJU-UHFFFAOYSA-N
XLogP4.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-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

1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102
1-[(3-chlorophenyl)methyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide
CID 53284530
N-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019946
1-[(3-chlorophenyl)methyl]-N-(2,3-dichlorophenyl)piperidine-4-carboxamide
CID 45012297
1-[(3-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-4-carboxamide
CID 45008831
methyl 4-[[1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 45007013
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284727
4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150478
1-[(3-chlorophenyl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 46776366
1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 45009865
1-benzyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide
CID 45019498
N-[4-(3-methylphenyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 25289485

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide (CID 53284862) is 1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide?
The InChIKey is XKXAIZGKGZDJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-15-5-7-19(8-6-15)22-20(24)17-9-11-23(12-10-17)14-16-3-2-4-18(21)13-16/h2-8,13,17H,9-12,14H2,1H3,(H,22,24).
What are the key properties of 1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide?
1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide has a molecular weight of 342.87 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 53284862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).