4-[2-(4-chlorophenyl)-2-methylpropanoyl]-N-(3-methylphenyl)piperazine-1-carboxamide

C22H26ClN3O2 — CID 56509937

IUPAC4-[2-(4-chlorophenyl)-2-methylpropanoyl]-N-(3-methylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(C(=O)C(C)(C)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C22H26ClN3O2/c1-16-5-4-6-19(15-16)24-21(28)26-13-11-25(12-14-26)20(27)22(2,3)17-7-9-18(23)10-8-17/h4-10,15H,11-14H2,1-3H3,(H,24,28)
InChIKeyOSHDQVPIACIBFG-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.30
Rot. Bonds3

About 4-[2-(4-chlorophenyl)-2-methylpropanoyl]-N-(3-methylphenyl)piperazine-1-carboxamide

4-[2-(4-chlorophenyl)-2-methylpropanoyl]-N-(3-methylphenyl)piperazine-1-carboxamide (PubChem CID 56509937) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-2-methylpropanoyl]-N-(3-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-2-methylpropanoyl]-N-(3-methylphenyl)piperazine-1-carboxamide
PubChem CID56509937
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name4-[2-(4-chlorophenyl)-2-methylpropanoyl]-N-(3-methylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(C(=O)C(C)(C)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C22H26ClN3O2/c1-16-5-4-6-19(15-16)24-21(28)26-13-11-25(12-14-26)20(27)22(2,3)17-7-9-18(23)10-8-17/h4-10,15H,11-14H2,1-3H3,(H,24,28)
InChIKeyOSHDQVPIACIBFG-UHFFFAOYSA-N
XLogP4.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[2-(4-chlorophenyl)-2-methylpropanoyl]-N-(3-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)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 851976
2-(4-chlorophenyl)-2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 113197535
4-[(4-tert-butylphenyl)methyl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide
CID 23818837
4-(2-methylbutan-2-yl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 130320192
4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide
CID 121187164
4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 18101727
1-(azepan-1-yl)-2-(4-chlorophenyl)-2-methylpropan-1-one
CID 11673560
N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111218
4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
(3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 79411041

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-2-methylpropanoyl]-N-(3-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(4-chlorophenyl)-2-methylpropanoyl]-N-(3-methylphenyl)piperazine-1-carboxamide (CID 56509937) is 4-[2-(4-chlorophenyl)-2-methylpropanoyl]-N-(3-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-2-methylpropanoyl]-N-(3-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(4-chlorophenyl)-2-methylpropanoyl]-N-(3-methylphenyl)piperazine-1-carboxamide is Cc1cccc(NC(=O)N2CCN(C(=O)C(C)(C)c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-2-methylpropanoyl]-N-(3-methylphenyl)piperazine-1-carboxamide?
The InChIKey is OSHDQVPIACIBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-16-5-4-6-19(15-16)24-21(28)26-13-11-25(12-14-26)20(27)22(2,3)17-7-9-18(23)10-8-17/h4-10,15H,11-14H2,1-3H3,(H,24,28).
What are the key properties of 4-[2-(4-chlorophenyl)-2-methylpropanoyl]-N-(3-methylphenyl)piperazine-1-carboxamide?
4-[2-(4-chlorophenyl)-2-methylpropanoyl]-N-(3-methylphenyl)piperazine-1-carboxamide has a molecular weight of 399.92 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-2-methylpropanoyl]-N-(3-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 56509937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).