4-(3-chloro-4-methylphenyl)-N-cyclopentylpiperazine-1-carboxamide

C17H24ClN3O — CID 113104516

IUPAC4-(3-chloro-4-methylphenyl)-N-cyclopentylpiperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)NC3CCCC3)CC2)cc1Cl
InChIInChI=1S/C17H24ClN3O/c1-13-6-7-15(12-16(13)18)20-8-10-21(11-9-20)17(22)19-14-4-2-3-5-14/h6-7,12,14H,2-5,8-11H2,1H3,(H,19,22)
InChIKeyBYYPGBWFQSKIAV-UHFFFAOYSA-N
MW321.85 g/mol
LogP3.42
Rot. Bonds2

About 4-(3-chloro-4-methylphenyl)-N-cyclopentylpiperazine-1-carboxamide

4-(3-chloro-4-methylphenyl)-N-cyclopentylpiperazine-1-carboxamide (PubChem CID 113104516) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is 4-(3-chloro-4-methylphenyl)-N-cyclopentylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-methylphenyl)-N-cyclopentylpiperazine-1-carboxamide
PubChem CID113104516
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC Name4-(3-chloro-4-methylphenyl)-N-cyclopentylpiperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)NC3CCCC3)CC2)cc1Cl
InChIInChI=1S/C17H24ClN3O/c1-13-6-7-15(12-16(13)18)20-8-10-21(11-9-20)17(22)19-14-4-2-3-5-14/h6-7,12,14H,2-5,8-11H2,1H3,(H,19,22)
InChIKeyBYYPGBWFQSKIAV-UHFFFAOYSA-N
XLogP3.42
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3-chloro-4-methylphenyl)-N-cyclopentylpiperazine-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

N-(azepan-4-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 167917066
N-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 4169539
N-cyclopropyl-4-(3,4-difluorophenyl)piperazine-1-carboxamide
CID 113081399
4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 17412310
4-(3-chloro-4-methylphenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113111875
methyl 4-[4-(cyclopentylcarbamoyl)piperazin-1-yl]benzoate
CID 113104537
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
4-(4-aminophenyl)-N-cyclobutylpiperazine-1-carboxamide
CID 116653618
N-cyclopropyl-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113075647
4-(3-cyanophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 113104573
methyl 3-[4-(cycloheptylcarbamoyl)piperazin-1-yl]benzoate
CID 113110616
N-cycloheptyl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113110605

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylphenyl)-N-cyclopentylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-chloro-4-methylphenyl)-N-cyclopentylpiperazine-1-carboxamide (CID 113104516) is 4-(3-chloro-4-methylphenyl)-N-cyclopentylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-methylphenyl)-N-cyclopentylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-4-methylphenyl)-N-cyclopentylpiperazine-1-carboxamide is Cc1ccc(N2CCN(C(=O)NC3CCCC3)CC2)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methylphenyl)-N-cyclopentylpiperazine-1-carboxamide?
The InChIKey is BYYPGBWFQSKIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O/c1-13-6-7-15(12-16(13)18)20-8-10-21(11-9-20)17(22)19-14-4-2-3-5-14/h6-7,12,14H,2-5,8-11H2,1H3,(H,19,22).
What are the key properties of 4-(3-chloro-4-methylphenyl)-N-cyclopentylpiperazine-1-carboxamide?
4-(3-chloro-4-methylphenyl)-N-cyclopentylpiperazine-1-carboxamide has a molecular weight of 321.85 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylphenyl)-N-cyclopentylpiperazine-1-carboxamide is sourced from PubChem (CID 113104516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).