N-methoxypiperidine-4-carboxamide

• ChemBase ID: 115827
• Molecular Formular: C7H14N2O2
• Molecular Mass: 158.19826
• Monoisotopic Mass: 158.1055277
• SMILES: C(=O)(NOC)C1CCNCC1
• Canonical SMILES: CONC(=O)C1CCNCC1
• InChI: InChI=1S/C7H14N2O2/c1-11-9-7(10)6-2-4-8-5-3-6/h6,8H,2-5H2,1H3,(H,9,10)
• InChIKey: KGIYEIDDSYRVMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methoxypiperidine-4-carboxamide
• IUPAC Traditional name: N-methoxypiperidine-4-carboxamide
• Synonyms: N-methoxypiperidine-4-carboxamide hydrochloride

Database IDs

• PubChem SID: 162106981
• PubChem CID: 49657848

CALCULATED PROPERTIES

• Acid pKa: 9.380788
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.7713854
• LogD (pH = 7.4): -3.0782957
• Log P: -1.3317192
• Molar Refractivity: 41.1444 cm^3
• Polarizability: 16.35 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.355

Product Information

• Purity: 95+%
• Salt Data: HCl