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

• ChemBase ID: 266173
• Molecular Formular: C11H16N2O2
• Molecular Mass: 208.25694
• Monoisotopic Mass: 208.12117776
• SMILES: c1(C(=O)NC2CCNCC2)oc(cc1)C
• Canonical SMILES: O=C(c1ccc(o1)C)NC1CCNCC1
• InChI: InChI=1S/C11H16N2O2/c1-8-2-3-10(15-8)11(14)13-9-4-6-12-7-5-9/h2-3,9,12H,4-7H2,1H3,(H,13,14)
• InChIKey: ZXMUDKONXBNYRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-N-(piperidin-4-yl)furan-2-carboxamide
• IUPAC Traditional name: 5-methyl-N-(piperidin-4-yl)furan-2-carboxamide
• Synonyms: 5-methyl-N-(piperidin-4-yl)furan-2-carboxamide

Database IDs

• MDL Number: MFCD11170286
• PubChem SID: 164322083
• PubChem CID: 28779806

CALCULATED PROPERTIES

• Acid pKa: 14.507409
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.2690742
• LogD (pH = 7.4): -2.5847552
• Log P: -0.048871666
• Molar Refractivity: 57.7301 cm^3
• Polarizability: 21.81988 Å^3
• Polar Surface Area: 54.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.148

Product Information

• Purity: 95%