4-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide

C19H22ClN3O — CID 6471022

IUPAC4-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H22ClN3O/c1-15-4-2-3-5-18(15)21-19(24)23-12-10-22(11-13-23)14-16-6-8-17(20)9-7-16/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeySNUUCXNWIFSVMC-UHFFFAOYSA-N
MW343.86 g/mol
LogP4.00
Rot. Bonds3

About 4-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide

4-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide (PubChem CID 6471022) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide
PubChem CID6471022
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name4-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H22ClN3O/c1-15-4-2-3-5-18(15)21-19(24)23-12-10-22(11-13-23)14-16-6-8-17(20)9-7-16/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeySNUUCXNWIFSVMC-UHFFFAOYSA-N
XLogP4.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)piperazine-1-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

4-[(4-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113107875
methyl 2-[[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]amino]benzoate
CID 113107902
4-[(4-chlorophenyl)methyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 24612351
N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 17297980
2-[[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]amino]benzoic acid
CID 69297960
N-(3-chloro-4-methylphenyl)-4-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CID 113107888
N-(2,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 6466682
4-[(4-chlorophenyl)methyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113107874
N-(4-chloro-2-methylphenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide
CID 113109916
N-(2-chlorophenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide
CID 113109911
3-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)-3-oxopropanamide
CID 108949310
N-(2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 17184554

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide (CID 6471022) is 4-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide is Cc1ccccc1NC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide?
The InChIKey is SNUUCXNWIFSVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-15-4-2-3-5-18(15)21-19(24)23-12-10-22(11-13-23)14-16-6-8-17(20)9-7-16/h2-9H,10-14H2,1H3,(H,21,24).
What are the key properties of 4-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide?
4-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide has a molecular weight of 343.86 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 6471022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).