2,5-dimethoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide

• ChemBase ID: 547633
• Molecular Formular: C17H26N2O3
• Molecular Mass: 306.39994
• Monoisotopic Mass: 306.1943427
• SMILES: c1(C(=O)NCCC2CN(CCC2)C)c(ccc(c1)OC)OC
• Canonical SMILES: COc1ccc(cc1C(=O)NCCC1CCCN(C1)C)OC
• InChI: InChI=1S/C17H26N2O3/c1-19-10-4-5-13(12-19)8-9-18-17(20)15-11-14(21-2)6-7-16(15)22-3/h6-7,11,13H,4-5,8-10,12H2,1-3H3,(H,18,20)
• InChIKey: NBLZDOWFKBGEIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide
• IUPAC Traditional name: 2,5-dimethoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide
• Synonyms: 2,5-dimethoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.745784
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.6943865
• LogD (pH = 7.4): -0.33706844
• Log P: 1.6641952
• Molar Refractivity: 87.8296 cm^3
• Polarizability: 33.727413 Å^3
• Polar Surface Area: 50.8 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: 1.59
• LOG S: -2.79
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 6