4-ethylpiperidine-4-carboxamide

• ChemBase ID: 308447
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: C(=O)(C1(CC)CCNCC1)N
• Canonical SMILES: CCC1(CCNCC1)C(=O)N
• InChI: InChI=1S/C8H16N2O/c1-2-8(7(9)11)3-5-10-6-4-8/h10H,2-6H2,1H3,(H2,9,11)
• InChIKey: ZFMKOWHRORJORT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethylpiperidine-4-carboxamide
• IUPAC Traditional name: 4-ethylpiperidine-4-carboxamide
• Synonyms: 4-ethyl-4-piperidinecarboxamide

Database IDs

• CAS Number: 1233026-60-2
• MDL Number: MFCD18272307

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.1510127
• LogD (pH = 7.4): -2.5458183
• Log P: 0.07387253
• Molar Refractivity: 43.9995 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 55.12 Å^2