N-[(1-ethylpiperidin-3-yl)methyl]-3,4-dimethoxybenzamide

• ChemBase ID: 547958
• Molecular Formular: C17H26N2O3
• Molecular Mass: 306.39994
• Monoisotopic Mass: 306.1943427
• SMILES: C(=O)(c1cc(c(cc1)OC)OC)NCC1CN(CCC1)CC
• Canonical SMILES: CCN1CCCC(C1)CNC(=O)c1ccc(c(c1)OC)OC
• InChI: InChI=1S/C17H26N2O3/c1-4-19-9-5-6-13(12-19)11-18-17(20)14-7-8-15(21-2)16(10-14)22-3/h7-8,10,13H,4-6,9,11-12H2,1-3H3,(H,18,20)
• InChIKey: IOYKDRPQUVUOCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-ethylpiperidin-3-yl)methyl]-3,4-dimethoxybenzamide
• IUPAC Traditional name: N-[(1-ethylpiperidin-3-yl)methyl]-3,4-dimethoxybenzamide
• Synonyms: N-[(1-ethylpiperidin-3-yl)methyl]-3,4-dimethoxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.713733
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.666336
• LogD (pH = 7.4): -0.16997485
• Log P: 1.6179912
• Molar Refractivity: 87.8784 cm^3
• Polarizability: 33.727123 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: 1.93
• LOG S: -3.08
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 6