N-(1-cycloheptylpiperidin-3-yl)-2-(1H-pyrazol-1-yl)acetamide

• ChemBase ID: 787594
• Molecular Formular: C17H28N4O
• Molecular Mass: 304.43042
• Monoisotopic Mass: 304.22631154
• SMILES: N1(CC(NC(=O)Cn2nccc2)CCC1)C1CCCCCC1
• Canonical SMILES: O=C(Cn1cccn1)NC1CCCN(C1)C1CCCCCC1
• InChI: InChI=1S/C17H28N4O/c22-17(14-21-12-6-10-18-21)19-15-7-5-11-20(13-15)16-8-3-1-2-4-9-16/h6,10,12,15-16H,1-5,7-9,11,13-14H2,(H,19,22)
• InChIKey: SHWNYFBOBNVYLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-cycloheptylpiperidin-3-yl)-2-(1H-pyrazol-1-yl)acetamide
• IUPAC Traditional name: N-(1-cycloheptylpiperidin-3-yl)-2-(pyrazol-1-yl)acetamide
• Synonyms: N-(1-cycloheptyl-3-piperidinyl)-2-(1H-pyrazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.387836
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3510811
• LogD (pH = 7.4): -0.035842076
• Log P: 2.023871
• Molar Refractivity: 98.6104 cm^3
• Polarizability: 34.19389 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.92
• LOG S: -2.83
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 4