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

• ChemBase ID: 788543
• Molecular Formular: C20H26N4O3
• Molecular Mass: 370.44544
• Monoisotopic Mass: 370.20049071
• SMILES: c1(n(CC(=O)N)ccn1)C1CN(C(=O)CCc2c(OC)cccc2)CCC1
• Canonical SMILES: COc1ccccc1CCC(=O)N1CCCC(C1)c1nccn1CC(=O)N
• InChI: InChI=1S/C20H26N4O3/c1-27-17-7-3-2-5-15(17)8-9-19(26)23-11-4-6-16(13-23)20-22-10-12-24(20)14-18(21)25/h2-3,5,7,10,12,16H,4,6,8-9,11,13-14H2,1H3,(H2,21,25)
• InChIKey: LAXFTUAUBHFZIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.686827
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.23373921
• LogD (pH = 7.4): 0.83859545
• Log P: 0.8632221
• Molar Refractivity: 101.8866 cm^3
• Polarizability: 39.368523 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: 0.75
• LOG S: -2.54
• Polar Surface Area: 90.45 Å^2
• Rotatable Bonds: 7