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

• ChemBase ID: 266257
• Molecular Formular: C11H16N2OS
• Molecular Mass: 224.32254
• Monoisotopic Mass: 224.09833414
• SMILES: c1(C(=O)NC2CCNCC2)sc(cc1)C
• Canonical SMILES: O=C(c1ccc(s1)C)NC1CCNCC1
• InChI: InChI=1S/C11H16N2OS/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: GXMKUBYOYWTRRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11642757
• PubChem SID: 164322167
• PubChem CID: 43345731

CALCULATED PROPERTIES

• Acid pKa: 14.681283
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.9701401
• LogD (pH = 7.4): -1.2858216
• Log P: 1.2500626
• Molar Refractivity: 62.1357 cm^3
• Polarizability: 23.606419 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 163 - 165°C
• Hydrophobicity(logP): 0.81

Product Information

• Purity: 95%