4-methoxy-N-(2-methoxyethyl)-2-{[1-(2-oxopropanoyl)piperidin-4-yl]oxy}benzamide

• ChemBase ID: 737846
• Molecular Formular: C19H26N2O6
• Molecular Mass: 378.41954
• Monoisotopic Mass: 378.17908656
• SMILES: c1(c(cc(cc1)OC)OC1CCN(C(=O)C(=O)C)CC1)C(=O)NCCOC
• Canonical SMILES: COCCNC(=O)c1ccc(cc1OC1CCN(CC1)C(=O)C(=O)C)OC
• InChI: InChI=1S/C19H26N2O6/c1-13(22)19(24)21-9-6-14(7-10-21)27-17-12-15(26-3)4-5-16(17)18(23)20-8-11-25-2/h4-5,12,14H,6-11H2,1-3H3,(H,20,23)
• InChIKey: XSJBESIPTMTONN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-N-(2-methoxyethyl)-2-{[1-(2-oxopropanoyl)piperidin-4-yl]oxy}benzamide
• IUPAC Traditional name: 4-methoxy-N-(2-methoxyethyl)-2-{[1-(2-oxopropanoyl)piperidin-4-yl]oxy}benzamide
• Synonyms: 4-methoxy-N-(2-methoxyethyl)-2-[(1-pyruvoylpiperidin-4-yl)oxy]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.198482
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.22816418
• LogD (pH = 7.4): 0.22816421
• Log P: 0.22816427
• Molar Refractivity: 99.0713 cm^3
• Polarizability: 37.946186 Å^3
• Polar Surface Area: 94.17 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -0.6
• LOG S: -2.76
• Polar Surface Area: 94.17 Å^2
• Rotatable Bonds: 8