2,5-dimethyl-N-(piperidin-4-yl)furan-3-carboxamide

• ChemBase ID: 268997
• Molecular Formular: C12H18N2O2
• Molecular Mass: 222.28352
• Monoisotopic Mass: 222.13682783
• SMILES: c1(C(=O)NC2CCNCC2)c(oc(c1)C)C
• Canonical SMILES: O=C(c1cc(oc1C)C)NC1CCNCC1
• InChI: InChI=1S/C12H18N2O2/c1-8-7-11(9(2)16-8)12(15)14-10-3-5-13-6-4-10/h7,10,13H,3-6H2,1-2H3,(H,14,15)
• InChIKey: SBYUTWUXYVWSST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethyl-N-(piperidin-4-yl)furan-3-carboxamide
• IUPAC Traditional name: 2,5-dimethyl-N-(piperidin-4-yl)furan-3-carboxamide
• Synonyms: 2,5-dimethyl-N-(piperidin-4-yl)furan-3-carboxamide

Database IDs

• MDL Number: MFCD09741311
• PubChem SID: 164324907
• PubChem CID: 16794486

CALCULATED PROPERTIES

• Acid pKa: 14.715075
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.9895146
• LogD (pH = 7.4): -2.3051958
• Log P: 0.23068853
• Molar Refractivity: 63.0023 cm^3
• Polarizability: 23.578362 Å^3
• Polar Surface Area: 54.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.307

Product Information

• Purity: 95%