N-[1-(1-cycloheptylpiperidin-4-yl)-1H-pyrazol-5-yl]-3-phenoxypropanamide

• ChemBase ID: 423239
• Molecular Formular: C24H34N4O2
• Molecular Mass: 410.55236
• Monoisotopic Mass: 410.26817635
• SMILES: c1(n(ncc1)C1CCN(CC1)C1CCCCCC1)NC(=O)CCOc1ccccc1
• Canonical SMILES: O=C(Nc1ccnn1C1CCN(CC1)C1CCCCCC1)CCOc1ccccc1
• InChI: InChI=1S/C24H34N4O2/c29-24(15-19-30-22-10-6-3-7-11-22)26-23-12-16-25-28(23)21-13-17-27(18-14-21)20-8-4-1-2-5-9-20/h3,6-7,10-12,16,20-21H,1-2,4-5,8-9,13-15,17-19H2,(H,26,29)
• InChIKey: VZJBSAMBDPGUFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1-cycloheptylpiperidin-4-yl)-1H-pyrazol-5-yl]-3-phenoxypropanamide
• IUPAC Traditional name: N-[2-(1-cycloheptylpiperidin-4-yl)pyrazol-3-yl]-3-phenoxypropanamide
• Synonyms: N-[1-(1-cycloheptyl-4-piperidinyl)-1H-pyrazol-5-yl]-3-phenoxypropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.469552
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.2813072
• LogD (pH = 7.4): 1.0763563
• Log P: 3.7526689
• Molar Refractivity: 130.8055 cm^3
• Polarizability: 46.219025 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.99
• LOG S: -5.98
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 7