N-methoxy-N-methylpiperidine-4-carboxamide

• ChemBase ID: 116161
• Molecular Formular: C8H16N2O2
• Molecular Mass: 172.22484
• Monoisotopic Mass: 172.12117776
• SMILES: C(=O)(N(OC)C)C1CCNCC1
• Canonical SMILES: CON(C(=O)C1CCNCC1)C
• InChI: InChI=1S/C8H16N2O2/c1-10(12-2)8(11)7-3-5-9-6-4-7/h7,9H,3-6H2,1-2H3
• InChIKey: RARJJNXVBNIOKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methoxy-N-methylpiperidine-4-carboxamide
• IUPAC Traditional name: N-methoxy-N-methylpiperidine-4-carboxamide
• Synonyms: N-methoxy-N-methylpiperidine-4-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD08272026
• PubChem SID: 162102217
• PubChem CID: 22405751

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.5542223
• LogD (pH = 7.4): -2.9697087
• Log P: -0.3282554
• Molar Refractivity: 46.0411 cm^3
• Polarizability: 18.182564 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.158

Product Information

• Purity: 95+%
• Salt Data: HCl