4-(2-chlorophenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide

C19H22ClN3O — CID 23849763

IUPAC4-(2-chlorophenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C19H22ClN3O/c1-14-6-5-7-15(2)18(14)21-19(24)23-12-10-22(11-13-23)17-9-4-3-8-16(17)20/h3-9H,10-13H2,1-2H3,(H,21,24)
InChIKeyAHAJWBRWWKHEHG-UHFFFAOYSA-N
MW343.86 g/mol
LogP4.31
Rot. Bonds2

About 4-(2-chlorophenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide

4-(2-chlorophenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide (PubChem CID 23849763) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide
PubChem CID23849763
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name4-(2-chlorophenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C19H22ClN3O/c1-14-6-5-7-15(2)18(14)21-19(24)23-12-10-22(11-13-23)17-9-4-3-8-16(17)20/h3-9H,10-13H2,1-2H3,(H,21,24)
InChIKeyAHAJWBRWWKHEHG-UHFFFAOYSA-N
XLogP4.31
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-chlorophenyl)-N-(2,6-dimethylphenyl)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-(2-chlorophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 3669045
4-(3-chloro-4-methylphenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113111875
4-(3-chloro-2-methylphenyl)-N-phenylpiperazine-1-carboxamide
CID 113076745
N-(2-chloro-6-methylphenyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 86795696
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8704673
(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)propanamide
CID 9445040
4-(2-chlorophenyl)-N-(7-hydroxynaphthalen-1-yl)piperazine-1-carboxamide
CID 10194004
N-(2-chloro-6-methylphenyl)-4-(7-chloroquinolin-1-ium-4-yl)piperazine-1-carboxamide
CID 7189217
4-(2-chlorophenyl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 113112852
4-(2-methylphenyl)-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111071
N-(2,6-dichlorophenyl)-4-methylpiperazine-1-carboxamide
CID 108988464
N-(3-chloro-2-methylphenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113111834

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide (CID 23849763) is 4-(2-chlorophenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide is Cc1cccc(C)c1NC(=O)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 4-(2-chlorophenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide?
The InChIKey is AHAJWBRWWKHEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-14-6-5-7-15(2)18(14)21-19(24)23-12-10-22(11-13-23)17-9-4-3-8-16(17)20/h3-9H,10-13H2,1-2H3,(H,21,24).
What are the key properties of 4-(2-chlorophenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide?
4-(2-chlorophenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide has a molecular weight of 343.86 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 23849763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).