1-ethylpiperidine-4-carboxamide

• ChemBase ID: 60218
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: C(=O)(C1CCN(CC1)CC)N
• Canonical SMILES: CCN1CCC(CC1)C(=O)N
• InChI: InChI=1S/C8H16N2O/c1-2-10-5-3-7(4-6-10)8(9)11/h7H,2-6H2,1H3,(H2,9,11)
• InChIKey: USGHIMJARYRESV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethylpiperidine-4-carboxamide
• IUPAC Traditional name: 1-ethylpiperidine-4-carboxamide
• Synonyms: 1-Ethylpiperidine-4-carboxamide

Database IDs

• MDL Number: MFCD00463125
• PubChem SID: 162025959
• PubChem CID: 567825

CALCULATED PROPERTIES

• Acid pKa: 16.791582
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.5250685
• LogD (pH = 7.4): -2.122138
• Log P: -0.18685454
• Molar Refractivity: 44.9408 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false