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

C15H22N4O — CID 116653618

IUPAC4-(4-aminophenyl)-N-cyclobutylpiperazine-1-carboxamide
SMILESNc1ccc(N2CCN(C(=O)NC3CCC3)CC2)cc1
InChIInChI=1S/C15H22N4O/c16-12-4-6-14(7-5-12)18-8-10-19(11-9-18)15(20)17-13-2-1-3-13/h4-7,13H,1-3,8-11,16H2,(H,17,20)
InChIKeyHXUJESXUDGDMSW-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.65
Rot. Bonds2

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

4-(4-aminophenyl)-N-cyclobutylpiperazine-1-carboxamide (PubChem CID 116653618) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-(4-aminophenyl)-N-cyclobutylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-aminophenyl)-N-cyclobutylpiperazine-1-carboxamide
PubChem CID116653618
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-(4-aminophenyl)-N-cyclobutylpiperazine-1-carboxamide
SMILESNc1ccc(N2CCN(C(=O)NC3CCC3)CC2)cc1
InChIInChI=1S/C15H22N4O/c16-12-4-6-14(7-5-12)18-8-10-19(11-9-18)15(20)17-13-2-1-3-13/h4-7,13H,1-3,8-11,16H2,(H,17,20)
InChIKeyHXUJESXUDGDMSW-UHFFFAOYSA-N
XLogP1.65
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 4169539
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 47127339
methyl 4-[4-(cyclopentylcarbamoyl)piperazin-1-yl]benzoate
CID 113104537
N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2932747
N-cycloheptyl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113110605
N-cyclohexyl-4-(6-oxo-1H-pyridin-3-yl)piperazine-1-carboxamide
CID 110749250
4-(3-chloro-4-methylphenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 113104516
N-cyclopropyl-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113075647
N-cyclopropyl-4-(3,4-difluorophenyl)piperazine-1-carboxamide
CID 113081399
[4-(4-aminophenyl)piperazin-1-yl]-(2-methylcyclopentyl)methanone
CID 107174788
N-(1-ethylazepan-3-yl)-4-phenylpiperazine-1-carboxamide
CID 15636959

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-N-cyclobutylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-aminophenyl)-N-cyclobutylpiperazine-1-carboxamide (CID 116653618) is 4-(4-aminophenyl)-N-cyclobutylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-aminophenyl)-N-cyclobutylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-aminophenyl)-N-cyclobutylpiperazine-1-carboxamide is Nc1ccc(N2CCN(C(=O)NC3CCC3)CC2)cc1.
What is the InChIKey of 4-(4-aminophenyl)-N-cyclobutylpiperazine-1-carboxamide?
The InChIKey is HXUJESXUDGDMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c16-12-4-6-14(7-5-12)18-8-10-19(11-9-18)15(20)17-13-2-1-3-13/h4-7,13H,1-3,8-11,16H2,(H,17,20).
What are the key properties of 4-(4-aminophenyl)-N-cyclobutylpiperazine-1-carboxamide?
4-(4-aminophenyl)-N-cyclobutylpiperazine-1-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-N-cyclobutylpiperazine-1-carboxamide is sourced from PubChem (CID 116653618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).