N-(pyridin-2-yl)piperidine-4-carboxamide

• ChemBase ID: 259746
• Molecular Formular: C11H15N3O
• Molecular Mass: 205.2563
• Monoisotopic Mass: 205.12151212
• SMILES: C(=O)(Nc1ncccc1)C1CCNCC1
• Canonical SMILES: O=C(C1CCNCC1)Nc1ccccn1
• InChI: InChI=1S/C11H15N3O/c15-11(9-4-7-12-8-5-9)14-10-3-1-2-6-13-10/h1-3,6,9,12H,4-5,7-8H2,(H,13,14,15)
• InChIKey: KZJVTRDVQOZWCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(pyridin-2-yl)piperidine-4-carboxamide
• IUPAC Traditional name: N-(pyridin-2-yl)piperidine-4-carboxamide
• Synonyms: N-(pyridin-2-yl)piperidine-4-carboxamide

Database IDs

• CAS Number: 110105-31-2
• MDL Number: MFCD08272001
• PubChem SID: 164315656
• PubChem CID: 13937699

CALCULATED PROPERTIES

• Acid pKa: 12.047773
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.5489295
• LogD (pH = 7.4): -1.9502465
• Log P: 0.5963091
• Molar Refractivity: 59.5092 cm^3
• Polarizability: 22.475307 Å^3
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 113 - 115°C
• Hydrophobicity(logP): 0.104

Product Information

• Purity: 95%