2-{2-[1-(2-oxo-2-phenylacetyl)piperidin-3-yl]-1H-imidazol-1-yl}acetamide

• ChemBase ID: 619724
• Molecular Formular: C18H20N4O3
• Molecular Mass: 340.3764
• Monoisotopic Mass: 340.15354052
• SMILES: c1(n(CC(=O)N)ccn1)C1CN(C(=O)C(=O)c2ccccc2)CCC1
• Canonical SMILES: NC(=O)Cn1ccnc1C1CCCN(C1)C(=O)C(=O)c1ccccc1
• InChI: InChI=1S/C18H20N4O3/c19-15(23)12-21-10-8-20-17(21)14-7-4-9-22(11-14)18(25)16(24)13-5-2-1-3-6-13/h1-3,5-6,8,10,14H,4,7,9,11-12H2,(H2,19,23)
• InChIKey: JYCIYXQONIJSLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[1-(2-oxo-2-phenylacetyl)piperidin-3-yl]-1H-imidazol-1-yl}acetamide
• IUPAC Traditional name: 2-{2-[1-(2-oxo-2-phenylacetyl)piperidin-3-yl]imidazol-1-yl}acetamide
• Synonyms: 2-(2-{1-[oxo(phenyl)acetyl]piperidin-3-yl}-1H-imidazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.460856
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.17366232
• LogD (pH = 7.4): 0.43119168
• Log P: 0.4558181
• Molar Refractivity: 91.7125 cm^3
• Polarizability: 35.07334 Å^3
• Polar Surface Area: 98.29 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: -0.75
• LOG S: -2.35
• Polar Surface Area: 98.29 Å^2
• Rotatable Bonds: 5