N-ethylpiperidine-4-carboxamide

• ChemBase ID: 254452
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: C(=O)(C1CCNCC1)NCC
• Canonical SMILES: CCNC(=O)C1CCNCC1
• InChI: InChI=1S/C8H16N2O/c1-2-10-8(11)7-3-5-9-6-4-7/h7,9H,2-6H2,1H3,(H,10,11)
• InChIKey: KMFMXQYAYHXUJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethylpiperidine-4-carboxamide
• IUPAC Traditional name: N-ethylpiperidine-4-carboxamide
• Synonyms: N-ethylpiperidine-4-carboxamide

Database IDs

• CAS Number: 1903-65-7
• MDL Number: MFCD08444676
• PubChem SID: 164310362
• PubChem CID: 13593161

CALCULATED PROPERTIES

• Acid pKa: 16.233868
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.572198
• LogD (pH = 7.4): -2.9877703
• Log P: -0.34622642
• Molar Refractivity: 44.5428 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 94 - 96°C
• Hydrophobicity(logP): -0.937

Product Information

• Purity: 95%; 95+%