N-(4-chloro-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide

C21H25ClN2O — CID 45021349

IUPACN-(4-chloro-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CN2CCC(C(=O)Nc3ccc(Cl)cc3C)CC2)cc1
InChIInChI=1S/C21H25ClN2O/c1-15-3-5-17(6-4-15)14-24-11-9-18(10-12-24)21(25)23-20-8-7-19(22)13-16(20)2/h3-8,13,18H,9-12,14H2,1-2H3,(H,23,25)
InChIKeyWFTQFPXEBJWXLE-UHFFFAOYSA-N
MW356.90 g/mol
LogP4.81
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide

N-(4-chloro-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 45021349) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID45021349
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC NameN-(4-chloro-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CN2CCC(C(=O)Nc3ccc(Cl)cc3C)CC2)cc1
InChIInChI=1S/C21H25ClN2O/c1-15-3-5-17(6-4-15)14-24-11-9-18(10-12-24)21(25)23-20-8-7-19(22)13-16(20)2/h3-8,13,18H,9-12,14H2,1-2H3,(H,23,25)
InChIKeyWFTQFPXEBJWXLE-UHFFFAOYSA-N
XLogP4.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-chloro-2-methylphenyl)-1-[(4-methylphenyl)methyl]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-[(4-bromophenyl)methyl]-N-(4-chloro-2-methylphenyl)piperidine-4-carboxamide
CID 43921575
N-(4-chloro-2-methylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921571
N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019725
1-[(4-chlorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 45015995
N-(2,3-dichlorophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019585
1-[(2-chlorophenyl)methyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide
CID 45012369
1-[(4-fluorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-4-carboxamide
CID 45014317
N-(4-chloro-2-methylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027098
1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53284862
1-[(4-bromophenyl)methyl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide
CID 43919152
N-(4-chlorophenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910194
N-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019946

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide (CID 45021349) is N-(4-chloro-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide is Cc1ccc(CN2CCC(C(=O)Nc3ccc(Cl)cc3C)CC2)cc1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is WFTQFPXEBJWXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O/c1-15-3-5-17(6-4-15)14-24-11-9-18(10-12-24)21(25)23-20-8-7-19(22)13-16(20)2/h3-8,13,18H,9-12,14H2,1-2H3,(H,23,25).
What are the key properties of N-(4-chloro-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
N-(4-chloro-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 356.90 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 45021349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).