3-[1-(furan-2-carbonyl)piperidin-2-yl]pyridine

• ChemBase ID: 185842
• Molecular Formular: C15H16N2O2
• Molecular Mass: 256.29974
• Monoisotopic Mass: 256.12117776
• SMILES: N1(C(=O)c2occc2)C(c2cnccc2)CCCC1
• Canonical SMILES: O=C(N1CCCCC1c1cccnc1)c1ccco1
• InChI: InChI=1S/C15H16N2O2/c18-15(14-7-4-10-19-14)17-9-2-1-6-13(17)12-5-3-8-16-11-12/h3-5,7-8,10-11,13H,1-2,6,9H2
• InChIKey: GGCODIIGVWHIHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-(furan-2-carbonyl)piperidin-2-yl]pyridine
• IUPAC Traditional name: 3-[1-(furan-2-carbonyl)piperidin-2-yl]pyridine

Database IDs

• PubChem SID: 164241752
• PubChem CID: 3748757

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6798329
• LogD (pH = 7.4): 1.7474658
• Log P: 1.7484188
• Molar Refractivity: 71.5886 cm^3
• Polarizability: 27.207443 Å^3
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds