3-phenyl-N-(piperidin-4-yl)propanamide

• ChemBase ID: 257459
• Molecular Formular: C14H20N2O
• Molecular Mass: 232.3214
• Monoisotopic Mass: 232.15756327
• SMILES: C(=O)(NC1CCNCC1)CCc1ccccc1
• Canonical SMILES: O=C(NC1CCNCC1)CCc1ccccc1
• InChI: InChI=1S/C14H20N2O/c17-14(16-13-8-10-15-11-9-13)7-6-12-4-2-1-3-5-12/h1-5,13,15H,6-11H2,(H,16,17)
• InChIKey: SMVAIZXVZZXCNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenyl-N-(piperidin-4-yl)propanamide
• IUPAC Traditional name: 3-phenyl-N-(piperidin-4-yl)propanamide
• Synonyms: 3-phenyl-N-piperidin-4-ylpropanamide

Database IDs

• MDL Number: MFCD09742449
• PubChem SID: 164313369
• PubChem CID: 16795625

CALCULATED PROPERTIES

• Acid pKa: 16.040947
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.1041498
• LogD (pH = 7.4): -1.4198433
• Log P: 1.1160544
• Molar Refractivity: 68.8419 cm^3
• Polarizability: 27.074333 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.631

Product Information

• Purity: 95%