N-(1-methyl-1H-pyrazol-4-yl)-2-[3-(2-phenylacetyl)piperidin-1-yl]acetamide

• ChemBase ID: 630041
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: c1(cn(nc1)C)NC(=O)CN1CC(C(=O)Cc2ccccc2)CCC1
• Canonical SMILES: O=C(Nc1cnn(c1)C)CN1CCCC(C1)C(=O)Cc1ccccc1
• InChI: InChI=1S/C19H24N4O2/c1-22-13-17(11-20-22)21-19(25)14-23-9-5-8-16(12-23)18(24)10-15-6-3-2-4-7-15/h2-4,6-7,11,13,16H,5,8-10,12,14H2,1H3,(H,21,25)
• InChIKey: BEVCEBQSLSOXLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-methyl-1H-pyrazol-4-yl)-2-[3-(2-phenylacetyl)piperidin-1-yl]acetamide
• IUPAC Traditional name: N-(1-methylpyrazol-4-yl)-2-[3-(2-phenylacetyl)piperidin-1-yl]acetamide
• Synonyms: N-(1-methyl-1H-pyrazol-4-yl)-2-[3-(phenylacetyl)-1-piperidinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.434796
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.9675108
• LogD (pH = 7.4): 1.8812951
• Log P: 1.9232981
• Molar Refractivity: 109.7543 cm^3
• Polarizability: 37.1336 Å^3
• Polar Surface Area: 67.23 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: 1.93
• LOG S: -3.33
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 6