2-[(1-acetylpiperidin-4-yl)oxy]-4-methoxy-N-(2-methoxyethyl)benzamide

• ChemBase ID: 586530
• Molecular Formular: C18H26N2O5
• Molecular Mass: 350.40944
• Monoisotopic Mass: 350.18417194
• SMILES: c1(c(cc(cc1)OC)OC1CCN(C(=O)C)CC1)C(=O)NCCOC
• Canonical SMILES: COCCNC(=O)c1ccc(cc1OC1CCN(CC1)C(=O)C)OC
• InChI: InChI=1S/C18H26N2O5/c1-13(21)20-9-6-14(7-10-20)25-17-12-15(24-3)4-5-16(17)18(22)19-8-11-23-2/h4-5,12,14H,6-11H2,1-3H3,(H,19,22)
• InChIKey: OWNLSTJJGYPBKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-acetylpiperidin-4-yl)oxy]-4-methoxy-N-(2-methoxyethyl)benzamide
• IUPAC Traditional name: 2-[(1-acetylpiperidin-4-yl)oxy]-4-methoxy-N-(2-methoxyethyl)benzamide
• Synonyms: 2-[(1-acetylpiperidin-4-yl)oxy]-4-methoxy-N-(2-methoxyethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.198494
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.061055552
• LogD (pH = 7.4): -0.061055463
• Log P: -0.0610554
• Molar Refractivity: 93.7253 cm^3
• Polarizability: 35.99551 Å^3
• Polar Surface Area: 77.1 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.52
• LOG S: -2.2
• Polar Surface Area: 77.1 Å^2
• Rotatable Bonds: 7