N-{1-[1-(3-cyclopentylpropyl)piperidin-4-yl]-1H-pyrazol-5-yl}acetamide

• ChemBase ID: 401122
• Molecular Formular: C18H30N4O
• Molecular Mass: 318.457
• Monoisotopic Mass: 318.2419616
• SMILES: c1(n(ncc1)C1CCN(CC1)CCCC1CCCC1)NC(=O)C
• Canonical SMILES: CC(=O)Nc1ccnn1C1CCN(CC1)CCCC1CCCC1
• InChI: InChI=1S/C18H30N4O/c1-15(23)20-18-8-11-19-22(18)17-9-13-21(14-10-17)12-4-7-16-5-2-3-6-16/h8,11,16-17H,2-7,9-10,12-14H2,1H3,(H,20,23)
• InChIKey: QFWXRVGIOJDQDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[1-(3-cyclopentylpropyl)piperidin-4-yl]-1H-pyrazol-5-yl}acetamide
• IUPAC Traditional name: N-{2-[1-(3-cyclopentylpropyl)piperidin-4-yl]pyrazol-3-yl}acetamide
• Synonyms: N-{1-[1-(3-cyclopentylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.613144
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1266867
• LogD (pH = 7.4): 0.22113602
• Log P: 2.2358115
• Molar Refractivity: 104.9518 cm^3
• Polarizability: 35.945686 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.72
• LOG S: -4.55
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 6