N-(piperidin-4-yl)furan-3-carboxamide hydrochloride

• ChemBase ID: 263691
• Molecular Formular: C10H15ClN2O2
• Molecular Mass: 230.6913
• Monoisotopic Mass: 230.08220541
• SMILES: c1(C(=O)NC2CCNCC2)cocc1.Cl
• Canonical SMILES: O=C(c1cocc1)NC1CCNCC1.Cl
• InChI: InChI=1S/C10H14N2O2.ClH/c13-10(8-3-6-14-7-8)12-9-1-4-11-5-2-9;/h3,6-7,9,11H,1-2,4-5H2,(H,12,13);1H
• InChIKey: JUGANSTXNDIMHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13196154
• PubChem SID: 164319601
• PubChem CID: 45792403

CALCULATED PROPERTIES

• Acid pKa: 14.152952
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.3886366
• LogD (pH = 7.4): -2.704317
• Log P: -0.16843411
• Molar Refractivity: 52.7029 cm^3
• Polarizability: 20.056185 Å^3
• Polar Surface Area: 54.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 258 - 260°C
• Hydrophobicity(logP): -0.351

Product Information

• Purity: 95%