4-ethyl-N-methylpiperidine-4-carboxamide

• ChemBase ID: 308336
• Molecular Formular: C9H18N2O
• Molecular Mass: 170.25202
• Monoisotopic Mass: 170.14191321
• SMILES: C(=O)(C1(CC)CCNCC1)NC
• Canonical SMILES: CCC1(CCNCC1)C(=O)NC
• InChI: InChI=1S/C9H18N2O/c1-3-9(8(12)10-2)4-6-11-7-5-9/h11H,3-7H2,1-2H3,(H,10,12)
• InChIKey: MJDGXURQIHIFSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-N-methylpiperidine-4-carboxamide
• IUPAC Traditional name: 4-ethyl-N-methylpiperidine-4-carboxamide
• Synonyms: 4-ethyl-N-methyl-4-piperidinecarboxamide

Database IDs

• MDL Number: MFCD18272288

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.9273365
• LogD (pH = 7.4): -2.322134
• Log P: 0.2975486
• Molar Refractivity: 48.8962 cm^3
• Polarizability: 19.311396 Å^3
• Polar Surface Area: 41.13 Å^2