N-(3-methoxypropyl)piperidine-4-carboxamide

• ChemBase ID: 261753
• Molecular Formular: C10H20N2O2
• Molecular Mass: 200.278
• Monoisotopic Mass: 200.15247789
• SMILES: C(=O)(C1CCNCC1)NCCCOC
• Canonical SMILES: COCCCNC(=O)C1CCNCC1
• InChI: InChI=1S/C10H20N2O2/c1-14-8-2-5-12-10(13)9-3-6-11-7-4-9/h9,11H,2-8H2,1H3,(H,12,13)
• InChIKey: ZZUJBHPJKNBANN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methoxypropyl)piperidine-4-carboxamide
• IUPAC Traditional name: N-(3-methoxypropyl)piperidine-4-carboxamide
• Synonyms: N-(3-methoxypropyl)piperidine-4-carboxamide

Database IDs

• MDL Number: MFCD06739722
• PubChem SID: 164317663
• PubChem CID: 7175819

CALCULATED PROPERTIES

• Acid pKa: 16.070303
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.9160228
• LogD (pH = 7.4): -3.3315942
• Log P: -0.6900501
• Molar Refractivity: 55.7031 cm^3
• Polarizability: 21.854008 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.773

Product Information

• Purity: 95%