N-[1-(1-cyclopentanecarbonylpiperidin-4-yl)-1H-pyrazol-5-yl]-4-phenylbutanamide

• ChemBase ID: 533821
• Molecular Formular: C24H32N4O2
• Molecular Mass: 408.53648
• Monoisotopic Mass: 408.25252628
• SMILES: c1(n(ncc1)C1CCN(C(=O)C2CCCC2)CC1)NC(=O)CCCc1ccccc1
• Canonical SMILES: O=C(Nc1ccnn1C1CCN(CC1)C(=O)C1CCCC1)CCCc1ccccc1
• InChI: InChI=1S/C24H32N4O2/c29-23(12-6-9-19-7-2-1-3-8-19)26-22-13-16-25-28(22)21-14-17-27(18-15-21)24(30)20-10-4-5-11-20/h1-3,7-8,13,16,20-21H,4-6,9-12,14-15,17-18H2,(H,26,29)
• InChIKey: REZZJADFDQEMBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1-cyclopentanecarbonylpiperidin-4-yl)-1H-pyrazol-5-yl]-4-phenylbutanamide
• IUPAC Traditional name: N-[2-(1-cyclopentanecarbonylpiperidin-4-yl)pyrazol-3-yl]-4-phenylbutanamide
• Synonyms: N-{1-[1-(cyclopentylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl}-4-phenylbutanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.525887
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.374143
• LogD (pH = 7.4): 3.3742173
• Log P: 3.3742185
• Molar Refractivity: 129.3251 cm^3
• Polarizability: 45.30255 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.29
• LOG S: -6.48
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 7