N-(piperidin-3-yl)benzamide

• ChemBase ID: 268977
• Molecular Formular: C12H16N2O
• Molecular Mass: 204.26824
• Monoisotopic Mass: 204.12626314
• SMILES: C(=O)(NC1CNCCC1)c1ccccc1
• Canonical SMILES: O=C(c1ccccc1)NC1CCCNC1
• InChI: InChI=1S/C12H16N2O/c15-12(10-5-2-1-3-6-10)14-11-7-4-8-13-9-11/h1-3,5-6,11,13H,4,7-9H2,(H,14,15)
• InChIKey: ZFLKDMGBVZHBAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(piperidin-3-yl)benzamide
• IUPAC Traditional name: N-(piperidin-3-yl)benzamide
• Synonyms: N-(piperidin-3-yl)benzamide

Database IDs

• MDL Number: MFCD09805381
• PubChem SID: 164324887
• PubChem CID: 22017045

CALCULATED PROPERTIES

• Acid pKa: 15.080639
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.0269592
• LogD (pH = 7.4): -0.9467765
• Log P: 1.1487232
• Molar Refractivity: 59.9687 cm^3
• Polarizability: 23.165157 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 130 - 132°C
• Hydrophobicity(logP): 1.296

Product Information

• Purity: 95%