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

• ChemBase ID: 847038
• Molecular Formular: C23H32N4O
• Molecular Mass: 380.52638
• Monoisotopic Mass: 380.25761166
• SMILES: c1(n(ncc1)C1CCN(CC1)C1CCCC1)NC(=O)CCCc1ccccc1
• Canonical SMILES: O=C(Nc1ccnn1C1CCN(CC1)C1CCCC1)CCCc1ccccc1
• InChI: InChI=1S/C23H32N4O/c28-23(12-6-9-19-7-2-1-3-8-19)25-22-13-16-24-27(22)21-14-17-26(18-15-21)20-10-4-5-11-20/h1-3,7-8,13,16,20-21H,4-6,9-12,14-15,17-18H2,(H,25,28)
• InChIKey: SSFMHLMEHYYCGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1-cyclopentylpiperidin-4-yl)-1H-pyrazol-5-yl]-4-phenylbutanamide
• IUPAC Traditional name: N-[2-(1-cyclopentylpiperidin-4-yl)pyrazol-3-yl]-4-phenylbutanamide
• Synonyms: N-[1-(1-cyclopentyl-4-piperidinyl)-1H-pyrazol-5-yl]-4-phenylbutanamide

CALCULATED PROPERTIES

JChem

• H Donor: 1
• LogD (pH = 5.5): 0.41207126
• LogD (pH = 7.4): 1.5640787
• Log P: 3.8330925
• Molar Refractivity: 124.8659 cm^3
• Polarizability: 43.70621 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 13.525953
• H Acceptors: 3

供应商提供(Chembridge)

• H Donor: 1
• Log P: 3.43
• LOG S: -6.19
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 7
• H Acceptors: 4