2-(4-benzoylphenoxy)-N-(1-benzylpiperidin-4-yl)acetamide

• ChemBase ID: 313168
• Molecular Formular: C27H28N2O3
• Molecular Mass: 428.52282
• Monoisotopic Mass: 428.20999277
• SMILES: c1cccc(c1)C(=O)c1ccc(cc1)OCC(=O)NC1CCN(CC1)Cc1ccccc1
• Canonical SMILES: O=C(NC1CCN(CC1)Cc1ccccc1)COc1ccc(cc1)C(=O)c1ccccc1
• InChI: InChI=1S/C27H28N2O3/c30-26(28-24-15-17-29(18-16-24)19-21-7-3-1-4-8-21)20-32-25-13-11-23(12-14-25)27(31)22-9-5-2-6-10-22/h1-14,24H,15-20H2,(H,28,30)
• InChIKey: SHHUPGSHGSNPDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-benzoylphenoxy)-N-(1-benzylpiperidin-4-yl)acetamide
• IUPAC Traditional name: 2-(4-benzoylphenoxy)-N-(1-benzylpiperidin-4-yl)acetamide
• Synonyms: Adiporon

Database IDs

• CAS Number: 924416-43-3

CALCULATED PROPERTIES

• Acid pKa: 14.772133
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.94614017
• LogD (pH = 7.4): 2.6706138
• Log P: 3.9209237
• Molar Refractivity: 125.9639 cm^3
• Polarizability: 49.000126 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: Others

Product Information

• Salt Data: Free Base