N-ethylpiperidine-3-carboxamide

• ChemBase ID: 116047
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: C(=O)(C1CNCCC1)NCC
• Canonical SMILES: CCNC(=O)C1CCCNC1
• InChI: InChI=1S/C8H16N2O/c1-2-10-8(11)7-4-3-5-9-6-7/h7,9H,2-6H2,1H3,(H,10,11)
• InChIKey: GLKMZNSNCZDAGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethylpiperidine-3-carboxamide
• IUPAC Traditional name: N-ethylpiperidine-3-carboxamide
• Synonyms: N-ethylpiperidine-3-carboxamide; N-ethylpiperidine-3-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD09810503; MFCD13562352
• PubChem SID: 162101433
• PubChem CID: 18072289

CALCULATED PROPERTIES

• Acid pKa: 16.215025
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.3763578
• LogD (pH = 7.4): -2.358205
• Log P: -0.19031896
• Molar Refractivity: 44.3888 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: 60 - 62°C
• Partition Coefficient: -0.156
• Hydrophobicity(logP): 0.093

Product Information

• Purity: 95%; 95+%
• Salt Data: HCl