N-[(2-methoxyphenyl)methyl]-2-[3-(1-methyl-1H-imidazol-2-yl)piperidin-1-yl]acetamide

• ChemBase ID: 438547
• Molecular Formular: C19H26N4O2
• Molecular Mass: 342.43534
• Monoisotopic Mass: 342.20557609
• SMILES: c1(C2CN(CC(=O)NCc3c(OC)cccc3)CCC2)n(ccn1)C
• Canonical SMILES: COc1ccccc1CNC(=O)CN1CCCC(C1)c1nccn1C
• InChI: InChI=1S/C19H26N4O2/c1-22-11-9-20-19(22)16-7-5-10-23(13-16)14-18(24)21-12-15-6-3-4-8-17(15)25-2/h3-4,6,8-9,11,16H,5,7,10,12-14H2,1-2H3,(H,21,24)
• InChIKey: LZOZSGXTCKZDDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-methoxyphenyl)methyl]-2-[3-(1-methyl-1H-imidazol-2-yl)piperidin-1-yl]acetamide
• IUPAC Traditional name: N-[(2-methoxyphenyl)methyl]-2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]acetamide
• Synonyms: N-(2-methoxybenzyl)-2-[3-(1-methyl-1H-imidazol-2-yl)-1-piperidinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.240131
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.0425351
• LogD (pH = 7.4): 0.9829655
• Log P: 1.3055685
• Molar Refractivity: 97.8018 cm^3
• Polarizability: 37.67223 Å^3
• Polar Surface Area: 59.39 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: 1.5
• LOG S: -2.98
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 6