N-butyl-2-(pyridin-3-yl)piperidine-1-carboxamide

• ChemBase ID: 186260
• Molecular Formular: C15H23N3O
• Molecular Mass: 261.36262
• Monoisotopic Mass: 261.18411237
• SMILES: N1(C(=O)NCCCC)C(c2cnccc2)CCCC1
• Canonical SMILES: CCCCNC(=O)N1CCCCC1c1cccnc1
• InChI: InChI=1S/C15H23N3O/c1-2-3-10-17-15(19)18-11-5-4-8-14(18)13-7-6-9-16-12-13/h6-7,9,12,14H,2-5,8,10-11H2,1H3,(H,17,19)
• InChIKey: DJGMFTGRIHUAGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butyl-2-(pyridin-3-yl)piperidine-1-carboxamide
• IUPAC Traditional name: N-butyl-2-(pyridin-3-yl)piperidine-1-carboxamide

Database IDs

• PubChem SID: 164242170
• PubChem CID: 3483689

CALCULATED PROPERTIES

• Acid pKa: 15.298677
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9794718
• LogD (pH = 7.4): 2.0470748
• Log P: 2.0480273
• Molar Refractivity: 75.9742 cm^3
• Polarizability: 29.454649 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds