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

• ChemBase ID: 482744
• Molecular Formular: C21H28N4O2
• Molecular Mass: 368.47262
• Monoisotopic Mass: 368.22122616
• SMILES: c1(n(ncc1)C1CCN(C(=O)CCCCc2ccccc2)CC1)NC(=O)C
• Canonical SMILES: CC(=O)Nc1ccnn1C1CCN(CC1)C(=O)CCCCc1ccccc1
• InChI: InChI=1S/C21H28N4O2/c1-17(26)23-20-11-14-22-25(20)19-12-15-24(16-13-19)21(27)10-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,11,14,19H,5-6,9-10,12-13,15-16H2,1H3,(H,23,26)
• InChIKey: YYNUPOGWQWZWCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.613112
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1497781
• LogD (pH = 7.4): 2.1498523
• Log P: 2.1498535
• Molar Refractivity: 117.3249 cm^3
• Polarizability: 40.43178 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: 1.35
• LOG S: -5.6
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 7