N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide

• ChemBase ID: 262724
• Molecular Formular: C10H20N2O2
• Molecular Mass: 200.278
• Monoisotopic Mass: 200.15247789
• SMILES: C1(C(=O)NCCOC)CNC(CC1)C
• Canonical SMILES: COCCNC(=O)C1CCC(NC1)C
• InChI: InChI=1S/C10H20N2O2/c1-8-3-4-9(7-12-8)10(13)11-5-6-14-2/h8-9,12H,3-7H2,1-2H3,(H,11,13)
• InChIKey: NWKCPORCHCYTJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
• IUPAC Traditional name: N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
• Synonyms: N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide

Database IDs

• MDL Number: MFCD09939803
• PubChem SID: 164318634
• PubChem CID: 24700776

CALCULATED PROPERTIES

• Acid pKa: 15.966188
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.37317
• LogD (pH = 7.4): -2.423599
• Log P: -0.1775274
• Molar Refractivity: 55.1025 cm^3
• Polarizability: 21.854008 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.519

Product Information

• Purity: 95%