2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide

• ChemBase ID: 275359
• Molecular Formular: C14H18N2O3
• Molecular Mass: 262.30432
• Monoisotopic Mass: 262.13174245
• SMILES: N1(C(C(C(=O)N)CCC1=O)c1ccc(cc1)OC)C
• Canonical SMILES: COc1ccc(cc1)C1C(CCC(=O)N1C)C(=O)N
• InChI: InChI=1S/C14H18N2O3/c1-16-12(17)8-7-11(14(15)18)13(16)9-3-5-10(19-2)6-4-9/h3-6,11,13H,7-8H2,1-2H3,(H2,15,18)
• InChIKey: YGAIAWMVNWGYSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
• IUPAC Traditional name: 2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
• Synonyms: 2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide

Database IDs

• MDL Number: MFCD18917337
• PubChem SID: 164331269
• PubChem CID: 54593648

CALCULATED PROPERTIES

• Acid pKa: 16.02645
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.28691342
• LogD (pH = 7.4): 0.28691372
• Log P: 0.28691372
• Molar Refractivity: 70.4097 cm^3
• Polarizability: 27.438656 Å^3
• Polar Surface Area: 72.63 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 220 - 222°C
• Hydrophobicity(logP): 0.318

Product Information

• Purity: 95%