2-ethylpiperidine-1-carboxamide

• ChemBase ID: 267393
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: N1(C(=O)N)C(CC)CCCC1
• Canonical SMILES: CCC1CCCCN1C(=O)N
• InChI: InChI=1S/C8H16N2O/c1-2-7-5-3-4-6-10(7)8(9)11/h7H,2-6H2,1H3,(H2,9,11)
• InChIKey: HOCDTXKZQHSTMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethylpiperidine-1-carboxamide
• IUPAC Traditional name: 2-ethylpiperidine-1-carboxamide
• Synonyms: 2-ethylpiperidine-1-carboxamide

Database IDs

• MDL Number: MFCD11618582
• PubChem SID: 164323303
• PubChem CID: 43213414

CALCULATED PROPERTIES

• Acid pKa: 16.354103
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.87298167
• LogD (pH = 7.4): 0.87298185
• Log P: 0.87298185
• Molar Refractivity: 44.0208 cm^3
• Polarizability: 17.085375 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.253

Product Information

• Purity: 95%