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

C17H24ClN3O — CID 17185093

IUPACN-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(C3CCCC3)CC2)cc1Cl
InChIInChI=1S/C17H24ClN3O/c1-13-6-7-14(12-16(13)18)19-17(22)21-10-8-20(9-11-21)15-4-2-3-5-15/h6-7,12,15H,2-5,8-11H2,1H3,(H,19,22)
InChIKeyUZQOIXMHOBLAFY-UHFFFAOYSA-N
MW321.85 g/mol
LogP3.74
Rot. Bonds2

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

N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide (PubChem CID 17185093) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide
PubChem CID17185093
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC NameN-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(C3CCCC3)CC2)cc1Cl
InChIInChI=1S/C17H24ClN3O/c1-13-6-7-14(12-16(13)18)19-17(22)21-10-8-20(9-11-21)15-4-2-3-5-15/h6-7,12,15H,2-5,8-11H2,1H3,(H,19,22)
InChIKeyUZQOIXMHOBLAFY-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetyl-N-(3-chloro-4-methylphenyl)-1,4-diazepane-1-carboxamide
CID 23907940
[4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 68596509
N-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86987867
4-cycloheptyl-N-(3,5-dichlorophenyl)piperazine-1-carboxamide
CID 113110558
N-(3-chloro-4-methylphenyl)-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 2476720
N-(2-chloro-4,6-dimethylphenyl)-4-cyclohexylpiperazine-1-carboxamide
CID 113104629
N-(3-chloro-4-methylphenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 80703460
N-(4-bromophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185073
N-(4-aminophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 62369641
4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 47455397
4-cyclopentyl-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 17185083
N-(3-chloro-2-methylphenyl)-4-cyclohexylpiperazine-1-carboxamide
CID 2970234

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide (CID 17185093) is N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(C3CCCC3)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide?
The InChIKey is UZQOIXMHOBLAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O/c1-13-6-7-14(12-16(13)18)19-17(22)21-10-8-20(9-11-21)15-4-2-3-5-15/h6-7,12,15H,2-5,8-11H2,1H3,(H,19,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide?
N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide has a molecular weight of 321.85 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide is sourced from PubChem (CID 17185093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).