2-methyl-N-(piperidin-4-yl)furan-3-carboxamide

• ChemBase ID: 269322
• Molecular Formular: C11H16N2O2
• Molecular Mass: 208.25694
• Monoisotopic Mass: 208.12117776
• SMILES: c1(C(=O)NC2CCNCC2)c(occ1)C
• Canonical SMILES: O=C(c1ccoc1C)NC1CCNCC1
• InChI: InChI=1S/C11H16N2O2/c1-8-10(4-7-15-8)11(14)13-9-2-5-12-6-3-9/h4,7,9,12H,2-3,5-6H2,1H3,(H,13,14)
• InChIKey: MJBWSHYQUGAPIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-N-(piperidin-4-yl)furan-3-carboxamide
• IUPAC Traditional name: 2-methyl-N-(piperidin-4-yl)furan-3-carboxamide
• Synonyms: 2-methyl-N-(piperidin-4-yl)furan-3-carboxamide

Database IDs

• MDL Number: MFCD09731347
• PubChem SID: 164325232
• PubChem CID: 16784605

CALCULATED PROPERTIES

• Acid pKa: 14.597843
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.1890757
• LogD (pH = 7.4): -2.504757
• Log P: 0.031127209
• Molar Refractivity: 57.8526 cm^3
• Polarizability: 21.817324 Å^3
• Polar Surface Area: 54.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.192

Product Information

• Purity: 95%