3,4,5-trimethoxy-N-(piperidin-3-yl)benzamide

• ChemBase ID: 312957
• Molecular Formular: C15H22N2O4
• Molecular Mass: 294.34618
• Monoisotopic Mass: 294.15795719
• SMILES: c1(cc(c(c(c1)OC)OC)OC)C(=O)NC1CCCNC1
• Canonical SMILES: COc1cc(cc(c1OC)OC)C(=O)NC1CCCNC1
• InChI: InChI=1S/C15H22N2O4/c1-19-12-7-10(8-13(20-2)14(12)21-3)15(18)17-11-5-4-6-16-9-11/h7-8,11,16H,4-6,9H2,1-3H3,(H,17,18)
• InChIKey: YSIITVVESCNIPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4,5-trimethoxy-N-(piperidin-3-yl)benzamide
• IUPAC Traditional name: 3,4,5-trimethoxy-N-(piperidin-3-yl)benzamide
• Synonyms: Troxipide

Database IDs

• CAS Number: 30751-05-4

CALCULATED PROPERTIES

• Acid pKa: 14.452075
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.4999728
• LogD (pH = 7.4): -1.41979
• Log P: 0.6757095
• Molar Refractivity: 79.3583 cm^3
• Polarizability: 30.748121 Å^3
• Polar Surface Area: 68.82 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: Others

Product Information

• Salt Data: Free Base