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

• ChemBase ID: 116049
• Molecular Formular: C9H18N2O2
• Molecular Mass: 186.25142
• Monoisotopic Mass: 186.13682783
• SMILES: C(=O)(C1CNCCC1)NCCOC
• Canonical SMILES: COCCNC(=O)C1CCCNC1
• InChI: InChI=1S/C9H18N2O2/c1-13-6-5-11-9(12)8-3-2-4-10-7-8/h8,10H,2-7H2,1H3,(H,11,12)
• InChIKey: GUUZPCSQOIHGER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13562517
• PubChem SID: 162100858
• PubChem CID: 18072310

CALCULATED PROPERTIES

• Acid pKa: 15.910329
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.780141
• LogD (pH = 7.4): -2.7619882
• Log P: -0.59410244
• Molar Refractivity: 50.6837 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

• Partition Coefficient: -0.579

Product Information

• Purity: 95+%
• Salt Data: HCl