N,N-dimethyl-4-oxopiperidine-1-carboxamide

• ChemBase ID: 246985
• Molecular Formular: C8H14N2O2
• Molecular Mass: 170.20896
• Monoisotopic Mass: 170.1055277
• SMILES: C(=O)(N1CCC(=O)CC1)N(C)C
• Canonical SMILES: CN(C(=O)N1CCC(=O)CC1)C
• InChI: InChI=1S/C8H14N2O2/c1-9(2)8(12)10-5-3-7(11)4-6-10/h3-6H2,1-2H3
• InChIKey: HMUQDWOQZMASJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-4-oxopiperidine-1-carboxamide
• IUPAC Traditional name: N,N-dimethyl-4-oxopiperidine-1-carboxamide
• Synonyms: N,N-dimethyl-4-oxopiperidine-1-carboxamide

Database IDs

• MDL Number: MFCD13179162
• PubChem SID: 164302895
• PubChem CID: 71378161

CALCULATED PROPERTIES

• Acid pKa: 18.68798
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.48616633
• LogD (pH = 7.4): -0.48616627
• Log P: -0.48616627
• Molar Refractivity: 45.2048 cm^3
• Polarizability: 17.197067 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.213

Product Information

• Purity: 95%