N-(2-methoxyethyl)piperidine-4-carboxamide

• ChemBase ID: 115819
• Molecular Formular: C9H18N2O2
• Molecular Mass: 186.25142
• Monoisotopic Mass: 186.13682783
• SMILES: C(=O)(C1CCNCC1)NCCOC
• Canonical SMILES: COCCNC(=O)C1CCNCC1
• InChI: InChI=1S/C9H18N2O2/c1-13-7-6-11-9(12)8-2-4-10-5-3-8/h8,10H,2-7H2,1H3,(H,11,12)
• InChIKey: ZVOAVYXOJQFPGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)piperidine-4-carboxamide
• IUPAC Traditional name: N-(2-methoxyethyl)piperidine-4-carboxamide
• Synonyms: N-(2-methoxyethyl)piperidine-4-carboxamide hydrochloride; N-(2-methoxyethyl)piperidine-4-carboxamide

Database IDs

• CAS Number: 73415-61-9
• MDL Number: MFCD13562518; MFCD06739723
• PubChem SID: 162100441
• PubChem CID: 7175816

CALCULATED PROPERTIES

• Acid pKa: 15.929163
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.9759817
• LogD (pH = 7.4): -3.3915539
• Log P: -0.7500099
• Molar Refractivity: 50.8377 cm^3
• Polarizability: 20.017399 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 158 - 160°C
• Partition Coefficient: -0.579
• Hydrophobicity(logP): -1.17

Product Information

• Purity: 95%; 95+%
• Salt Data: HCl