2-{2-[1-(4-oxo-4-phenylbutanoyl)piperidin-3-yl]-1H-imidazol-1-yl}acetamide

• ChemBase ID: 517433
• Molecular Formular: C20H24N4O3
• Molecular Mass: 368.42956
• Monoisotopic Mass: 368.18484065
• SMILES: c1(n(CC(=O)N)ccn1)C1CN(C(=O)CCC(=O)c2ccccc2)CCC1
• Canonical SMILES: NC(=O)Cn1ccnc1C1CCCN(C1)C(=O)CCC(=O)c1ccccc1
• InChI: InChI=1S/C20H24N4O3/c21-18(26)14-24-12-10-22-20(24)16-7-4-11-23(13-16)19(27)9-8-17(25)15-5-2-1-3-6-15/h1-3,5-6,10,12,16H,4,7-9,11,13-14H2,(H2,21,26)
• InChIKey: VLKFYZLBZAKXHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[1-(4-oxo-4-phenylbutanoyl)piperidin-3-yl]-1H-imidazol-1-yl}acetamide
• IUPAC Traditional name: 2-{2-[1-(4-oxo-4-phenylbutanoyl)piperidin-3-yl]imidazol-1-yl}acetamide
• Synonyms: 2-{2-[1-(4-oxo-4-phenylbutanoyl)-3-piperidinyl]-1H-imidazol-1-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.889563
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.30839616
• LogD (pH = 7.4): 0.29646003
• Log P: 0.3210867
• Molar Refractivity: 100.8109 cm^3
• Polarizability: 38.75037 Å^3
• Polar Surface Area: 98.29 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: 0.29
• LOG S: -3.44
• Polar Surface Area: 98.29 Å^2
• Rotatable Bonds: 7