N-(piperidin-4-yl)furan-2-carboxamide hydrochloride

• ChemBase ID: 45626
• Molecular Formular: C10H15ClN2O2
• Molecular Mass: 230.6913
• Monoisotopic Mass: 230.08220541
• SMILES: C(=O)(c1occc1)NC1CCNCC1.Cl
• Canonical SMILES: O=C(c1ccco1)NC1CCNCC1.Cl
• InChI: InChI=1S/C10H14N2O2.ClH/c13-10(9-2-1-7-14-9)12-8-3-5-11-6-4-8;/h1-2,7-8,11H,3-6H2,(H,12,13);1H
• InChIKey: YOYOLKAXTYRSBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(piperidin-4-yl)furan-2-carboxamide hydrochloride
• IUPAC Traditional name: N-(piperidin-4-yl)furan-2-carboxamide hydrochloride
• Synonyms: N-(4-Piperidinyl)-2-furamide hydrochloride

Database IDs

• MDL Number: MFCD13559678
• PubChem SID: 162050389
• PubChem CID: 53410715

CALCULATED PROPERTIES

• Acid pKa: 14.139427
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.4686353
• LogD (pH = 7.4): -2.784315
• Log P: -0.248433
• Molar Refractivity: 52.5804 cm^3
• Polarizability: 20.059559 Å^3
• Polar Surface Area: 54.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false