N-(2-chlorophenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide

C19H22ClN3O — CID 3814610

IUPACN-(2-chlorophenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)Nc3ccccc3Cl)CC2C)cc1
InChIInChI=1S/C19H22ClN3O/c1-14-7-9-16(10-8-14)23-12-11-22(13-15(23)2)19(24)21-18-6-4-3-5-17(18)20/h3-10,15H,11-13H2,1-2H3,(H,21,24)
InChIKeyDBJQRWJKQKBEMW-UHFFFAOYSA-N
MW343.86 g/mol
LogP4.39
Rot. Bonds2

About N-(2-chlorophenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide

N-(2-chlorophenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide (PubChem CID 3814610) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
PubChem CID3814610
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC NameN-(2-chlorophenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)Nc3ccccc3Cl)CC2C)cc1
InChIInChI=1S/C19H22ClN3O/c1-14-7-9-16(10-8-14)23-12-11-22(13-15(23)2)19(24)21-18-6-4-3-5-17(18)20/h3-10,15H,11-13H2,1-2H3,(H,21,24)
InChIKeyDBJQRWJKQKBEMW-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-(2-chlorophenyl)-3-methyl-4-(4-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

3-methyl-4-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17381843
N-(2,3-dichlorophenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carbothioamide
CID 19655308
3-methyl-4-(4-methylphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 4993779
(3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 40638803
N-(2,4-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 23987261
N-(2,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 2957595
(3R)-N-(2,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 2211440
N-(5-chloro-2-methylphenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide
CID 3330309
4-(4-methoxyphenyl)-3-methyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 5005350
3-methyl-4-(4-methylphenyl)-N-naphthalen-1-ylpiperazine-1-carbothioamide
CID 19655324
(3R)-3-methyl-4-(4-methylphenyl)-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 2207731
(3R)-N-butyl-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 40631537

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide (CID 3814610) is N-(2-chlorophenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide is Cc1ccc(N2CCN(C(=O)Nc3ccccc3Cl)CC2C)cc1.
What is the InChIKey of N-(2-chlorophenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide?
The InChIKey is DBJQRWJKQKBEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-14-7-9-16(10-8-14)23-12-11-22(13-15(23)2)19(24)21-18-6-4-3-5-17(18)20/h3-10,15H,11-13H2,1-2H3,(H,21,24).
What are the key properties of N-(2-chlorophenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide?
N-(2-chlorophenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide has a molecular weight of 343.86 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 3814610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).