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

• ChemBase ID: 268610
• Molecular Formular: C10H20N2O2
• Molecular Mass: 200.278
• Monoisotopic Mass: 200.15247789
• SMILES: C(=O)(C1CNCCC1)N(CCOC)C
• Canonical SMILES: COCCN(C(=O)C1CCCNC1)C
• InChI: InChI=1S/C10H20N2O2/c1-12(6-7-14-2)10(13)9-4-3-5-11-8-9/h9,11H,3-8H2,1-2H3
• InChIKey: QHZMKVPILJQNRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12825983
• PubChem SID: 164324520
• PubChem CID: 47003366

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.5564232
• LogD (pH = 7.4): -2.537997
• Log P: -0.37042636
• Molar Refractivity: 55.5804 cm^3
• Polarizability: 21.854008 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.511

Product Information

• Purity: 95%