N-(1-cycloheptylpiperidin-3-yl)cyclobutanecarboxamide

• ChemBase ID: 571542
• Molecular Formular: C17H30N2O
• Molecular Mass: 278.4329
• Monoisotopic Mass: 278.23581359
• SMILES: N1(CC(NC(=O)C2CCC2)CCC1)C1CCCCCC1
• Canonical SMILES: O=C(C1CCC1)NC1CCCN(C1)C1CCCCCC1
• InChI: InChI=1S/C17H30N2O/c20-17(14-7-5-8-14)18-15-9-6-12-19(13-15)16-10-3-1-2-4-11-16/h14-16H,1-13H2,(H,18,20)
• InChIKey: HYFYLLCFGPZXTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-cycloheptylpiperidin-3-yl)cyclobutanecarboxamide
• IUPAC Traditional name: N-(1-cycloheptylpiperidin-3-yl)cyclobutanecarboxamide
• Synonyms: N-(1-cycloheptyl-3-piperidinyl)cyclobutanecarboxamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Donor: 1
• Log P: 3.39
• LOG S: -2.92
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• H Acceptors: 2

JChem

• LogD (pH = 5.5): -0.22548884
• LogD (pH = 7.4): 1.0993602
• Log P: 3.1458008
• Molar Refractivity: 82.2083 cm^3
• Polarizability: 32.59192 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 16.07073
• H Acceptors: 2
• H Donor: 1