2-(3,4-dimethoxyphenyl)-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide

• ChemBase ID: 836997
• Molecular Formular: C23H30N2O3
• Molecular Mass: 382.4959
• Monoisotopic Mass: 382.22564283
• SMILES: C(=O)(NC1CN(CCc2ccccc2)CCC1)Cc1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)CC(=O)NC1CCCN(C1)CCc1ccccc1
• InChI: InChI=1S/C23H30N2O3/c1-27-21-11-10-19(15-22(21)28-2)16-23(26)24-20-9-6-13-25(17-20)14-12-18-7-4-3-5-8-18/h3-5,7-8,10-11,15,20H,6,9,12-14,16-17H2,1-2H3,(H,24,26)
• InChIKey: PDAVMKGUJDNQMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dimethoxyphenyl)-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
• IUPAC Traditional name: 2-(3,4-dimethoxyphenyl)-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
• Synonyms: 2-(3,4-dimethoxyphenyl)-N-[1-(2-phenylethyl)-3-piperidinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.53343
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.34129637
• LogD (pH = 7.4): 2.0939567
• Log P: 3.2097285
• Molar Refractivity: 111.6088 cm^3
• Polarizability: 43.4637 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.46
• LOG S: -3.81
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 6