N-ethyl-4-oxopiperidine-1-carboxamide

• ChemBase ID: 246838
• Molecular Formular: C8H14N2O2
• Molecular Mass: 170.20896
• Monoisotopic Mass: 170.1055277
• SMILES: C(=O)(N1CCC(=O)CC1)NCC
• Canonical SMILES: CCNC(=O)N1CCC(=O)CC1
• InChI: InChI=1S/C8H14N2O2/c1-2-9-8(12)10-5-3-7(11)4-6-10/h2-6H2,1H3,(H,9,12)
• InChIKey: XEYHYWDUWFAKBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11213385
• PubChem SID: 164302748
• PubChem CID: 43090708

CALCULATED PROPERTIES

• Acid pKa: 15.375276
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.35303444
• LogD (pH = 7.4): -0.35303438
• Log P: -0.35303438
• Molar Refractivity: 45.0567 cm^3
• Polarizability: 17.197067 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.133

Product Information

• Purity: 95%