N,N-dimethyl-2-(4-oxopiperidin-1-yl)acetamide

• ChemBase ID: 256715
• Molecular Formular: C9H16N2O2
• Molecular Mass: 184.23554
• Monoisotopic Mass: 184.12117776
• SMILES: C(=O)(CN1CCC(=O)CC1)N(C)C
• Canonical SMILES: CN(C(=O)CN1CCC(=O)CC1)C
• InChI: InChI=1S/C9H16N2O2/c1-10(2)9(13)7-11-5-3-8(12)4-6-11/h3-7H2,1-2H3
• InChIKey: VDONSFHCFJYQEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-(4-oxopiperidin-1-yl)acetamide
• IUPAC Traditional name: N,N-dimethyl-2-(4-oxopiperidin-1-yl)acetamide
• Synonyms: N,N-dimethyl-2-(4-oxopiperidin-1-yl)acetamide

Database IDs

• MDL Number: MFCD09951130
• PubChem SID: 164312625
• PubChem CID: 24711266

CALCULATED PROPERTIES

• Acid pKa: 18.216059
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.0234424
• LogD (pH = 7.4): -0.71426165
• Log P: -0.7084744
• Molar Refractivity: 50.1637 cm^3
• Polarizability: 19.404024 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.196

Product Information

• Purity: 95%