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

• ChemBase ID: 263282
• Molecular Formular: C10H15ClN2OS
• Molecular Mass: 246.7569
• Monoisotopic Mass: 246.05936179
• SMILES: C(=O)(c1sccc1)NC1CCNCC1.Cl
• Canonical SMILES: O=C(c1cccs1)NC1CCNCC1.Cl
• InChI: InChI=1S/C10H14N2OS.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: SBRNEWDOPNYHRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13196029
• PubChem SID: 164319192
• PubChem CID: 45792287

CALCULATED PROPERTIES

• Acid pKa: 14.267565
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.6160007
• LogD (pH = 7.4): -1.9316814
• Log P: 0.60420173
• Molar Refractivity: 57.0794 cm^3
• Polarizability: 21.849176 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.311

Product Information

• Purity: 95%