N-(4-aminophenyl)-4-cyclopentylpiperazine-1-carboxamide

C16H24N4O — CID 62369641

IUPACN-(4-aminophenyl)-4-cyclopentylpiperazine-1-carboxamide
SMILESNc1ccc(NC(=O)N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C16H24N4O/c17-13-5-7-14(8-6-13)18-16(21)20-11-9-19(10-12-20)15-3-1-2-4-15/h5-8,15H,1-4,9-12,17H2,(H,18,21)
InChIKeyIDCQFVLHWDKGTE-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.36
Rot. Bonds2

About N-(4-aminophenyl)-4-cyclopentylpiperazine-1-carboxamide

N-(4-aminophenyl)-4-cyclopentylpiperazine-1-carboxamide (PubChem CID 62369641) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-cyclopentylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-cyclopentylpiperazine-1-carboxamide
PubChem CID62369641
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-(4-aminophenyl)-4-cyclopentylpiperazine-1-carboxamide
SMILESNc1ccc(NC(=O)N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C16H24N4O/c17-13-5-7-14(8-6-13)18-16(21)20-11-9-19(10-12-20)15-3-1-2-4-15/h5-8,15H,1-4,9-12,17H2,(H,18,21)
InChIKeyIDCQFVLHWDKGTE-UHFFFAOYSA-N
XLogP2.36
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-aminophenyl)-4-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-(4-bromophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185073
N-(4-acetamidophenyl)-4-cyclopropylpiperazine-1-carboxamide
CID 113103473
methyl 4-[(4-cyclohexylpiperazine-1-carbonyl)amino]benzoate
CID 113104639
4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 47455397
N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185093
N-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86987867
4-cycloheptyl-N-(3,5-dichlorophenyl)piperazine-1-carboxamide
CID 113110558
4-cyclopropyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 47455403
4-cyclopentyl-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide
CID 86986929
4-cyclopentyl-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 17185083
methyl 3-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate
CID 113104448
N-(5-acetamido-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86987888

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4-cyclopentylpiperazine-1-carboxamide?
The IUPAC name of N-(4-aminophenyl)-4-cyclopentylpiperazine-1-carboxamide (CID 62369641) is N-(4-aminophenyl)-4-cyclopentylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-4-cyclopentylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-4-cyclopentylpiperazine-1-carboxamide is Nc1ccc(NC(=O)N2CCN(C3CCCC3)CC2)cc1.
What is the InChIKey of N-(4-aminophenyl)-4-cyclopentylpiperazine-1-carboxamide?
The InChIKey is IDCQFVLHWDKGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c17-13-5-7-14(8-6-13)18-16(21)20-11-9-19(10-12-20)15-3-1-2-4-15/h5-8,15H,1-4,9-12,17H2,(H,18,21).
What are the key properties of N-(4-aminophenyl)-4-cyclopentylpiperazine-1-carboxamide?
N-(4-aminophenyl)-4-cyclopentylpiperazine-1-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-4-cyclopentylpiperazine-1-carboxamide is sourced from PubChem (CID 62369641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).