2-(2-{1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl}-1H-imidazol-1-yl)acetamide

• ChemBase ID: 675142
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: c1(n(CC(=O)N)ccn1)C1CN(C(=O)Cc2c(OC)cccc2)CCC1
• Canonical SMILES: COc1ccccc1CC(=O)N1CCCC(C1)c1nccn1CC(=O)N
• InChI: InChI=1S/C19H24N4O3/c1-26-16-7-3-2-5-14(16)11-18(25)22-9-4-6-15(12-22)19-21-8-10-23(19)13-17(20)24/h2-3,5,7-8,10,15H,4,6,9,11-13H2,1H3,(H2,20,24)
• InChIKey: TWJXRHKMKRXGJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.674585
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.21082935
• LogD (pH = 7.4): 0.39402682
• Log P: 0.41865346
• Molar Refractivity: 97.2856 cm^3
• Polarizability: 37.53033 Å^3
• Polar Surface Area: 90.45 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: 0.23
• LOG S: -3.31
• Polar Surface Area: 90.45 Å^2
• Rotatable Bonds: 6