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

• ChemBase ID: 315212
• Molecular Formular: C20H26N4O3
• Molecular Mass: 370.44544
• Monoisotopic Mass: 370.20049071
• SMILES: n1(c(ncc1)C1CCN(C(=O)CCc2cc(OC)ccc2)CC1)CC(=O)N
• Canonical SMILES: COc1cccc(c1)CCC(=O)N1CCC(CC1)c1nccn1CC(=O)N
• InChI: InChI=1S/C20H26N4O3/c1-27-17-4-2-3-15(13-17)5-6-19(26)23-10-7-16(8-11-23)20-22-9-12-24(20)14-18(21)25/h2-4,9,12-13,16H,5-8,10-11,14H2,1H3,(H2,21,25)
• InChIKey: MWPPEGQFRDLASG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.609359
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.063720316
• LogD (pH = 7.4): 0.68119496
• Log P: 0.70731467
• Molar Refractivity: 102.0406 cm^3
• Polarizability: 39.36849 Å^3
• Polar Surface Area: 90.45 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: 0.7
• LOG S: -2.5
• Polar Surface Area: 90.45 Å^2
• Rotatable Bonds: 7