N-methyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide hydrochloride

• ChemBase ID: 270663
• Molecular Formular: C12H19ClN2OS
• Molecular Mass: 274.81006
• Monoisotopic Mass: 274.09066192
• SMILES: C(=O)(N(Cc1cscc1)C)C1CCNCC1.Cl
• Canonical SMILES: O=C(N(Cc1cscc1)C)C1CCNCC1.Cl
• InChI: InChI=1S/C12H18N2OS.ClH/c1-14(8-10-4-7-16-9-10)12(15)11-2-5-13-6-3-11;/h4,7,9,11,13H,2-3,5-6,8H2,1H3;1H
• InChIKey: JQBIFDSYRFAPAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide hydrochloride
• IUPAC Traditional name: N-methyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide hydrochloride
• Synonyms: N-methyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD17480448
• PubChem SID: 164326573
• PubChem CID: 50988479

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2004147
• LogD (pH = 7.4): -1.6159787
• Log P: 1.0255568
• Molar Refractivity: 66.4093 cm^3
• Polarizability: 25.715761 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 153 - 155°C
• Hydrophobicity(logP): 0.224

Product Information

• Purity: 95%