2-(4-acetyl-4-phenylpiperidin-1-yl)-N-(1-methyl-1H-pyrazol-4-yl)acetamide

• ChemBase ID: 558368
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: C1(CCN(CC(=O)Nc2cn(nc2)C)CC1)(C(=O)C)c1ccccc1
• Canonical SMILES: O=C(Nc1cnn(c1)C)CN1CCC(CC1)(C(=O)C)c1ccccc1
• InChI: InChI=1S/C19H24N4O2/c1-15(24)19(16-6-4-3-5-7-16)8-10-23(11-9-19)14-18(25)21-17-12-20-22(2)13-17/h3-7,12-13H,8-11,14H2,1-2H3,(H,21,25)
• InChIKey: MWQRONWDDYOJAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-acetyl-4-phenylpiperidin-1-yl)-N-(1-methyl-1H-pyrazol-4-yl)acetamide
• IUPAC Traditional name: 2-(4-acetyl-4-phenylpiperidin-1-yl)-N-(1-methylpyrazol-4-yl)acetamide
• Synonyms: 2-(4-acetyl-4-phenyl-1-piperidinyl)-N-(1-methyl-1H-pyrazol-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.434861
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.57556796
• LogD (pH = 7.4): 1.5704086
• Log P: 1.6228691
• Molar Refractivity: 109.7824 cm^3
• Polarizability: 37.132633 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.41
• LOG S: -2.89
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 5