N-[2-(2-methoxyphenyl)ethyl]-2-[4-(1-methyl-1H-imidazol-2-yl)piperidin-1-yl]acetamide

• ChemBase ID: 599415
• Molecular Formular: C20H28N4O2
• Molecular Mass: 356.46192
• Monoisotopic Mass: 356.22122616
• SMILES: c1(n(ccn1)C)C1CCN(CC(=O)NCCc2c(OC)cccc2)CC1
• Canonical SMILES: COc1ccccc1CCNC(=O)CN1CCC(CC1)c1nccn1C
• InChI: InChI=1S/C20H28N4O2/c1-23-14-11-22-20(23)17-8-12-24(13-9-17)15-19(25)21-10-7-16-5-3-4-6-18(16)26-2/h3-6,11,14,17H,7-10,12-13,15H2,1-2H3,(H,21,25)
• InChIKey: DNYKOQYQWKTJJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-methoxyphenyl)ethyl]-2-[4-(1-methyl-1H-imidazol-2-yl)piperidin-1-yl]acetamide
• IUPAC Traditional name: N-[2-(2-methoxyphenyl)ethyl]-2-[4-(1-methylimidazol-2-yl)piperidin-1-yl]acetamide
• Synonyms: N-[2-(2-methoxyphenyl)ethyl]-2-[4-(1-methyl-1H-imidazol-2-yl)-1-piperidinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.465105
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.2414954
• LogD (pH = 7.4): 1.0510051
• Log P: 1.4383222
• Molar Refractivity: 102.7108 cm^3
• Polarizability: 39.515564 Å^3
• Polar Surface Area: 59.39 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: 1.94
• LOG S: -3.46
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 7