3-ethylpiperidine-3-carboxamide

• ChemBase ID: 309931
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: C1(C(=O)N)(CNCCC1)CC
• Canonical SMILES: CCC1(CCCNC1)C(=O)N
• InChI: InChI=1S/C8H16N2O/c1-2-8(7(9)11)4-3-5-10-6-8/h10H,2-6H2,1H3,(H2,9,11)
• InChIKey: NFBWNWYIEDNOBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethylpiperidine-3-carboxamide
• IUPAC Traditional name: 3-ethylpiperidine-3-carboxamide
• Synonyms: 3-ethyl-3-piperidinecarboxamide

Database IDs

• MDL Number: MFCD18272666

CALCULATED PROPERTIES

• LogD (pH = 7.4): -2.1007674
• Log P: 0.22977999
• Molar Refractivity: 43.8455 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 55.12 Å^2
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.9746342