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

• ChemBase ID: 257351
• Molecular Formular: C11H22N2O2
• Molecular Mass: 214.30458
• Monoisotopic Mass: 214.16812795
• SMILES: C(=O)(C1CCNCC1)NCCCOCC
• Canonical SMILES: CCOCCCNC(=O)C1CCNCC1
• InChI: InChI=1S/C11H22N2O2/c1-2-15-9-3-6-13-11(14)10-4-7-12-8-5-10/h10,12H,2-9H2,1H3,(H,13,14)
• InChIKey: SCSPCLOENRLWKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08443282
• PubChem SID: 164313261
• PubChem CID: 16770022

CALCULATED PROPERTIES

• Acid pKa: 16.118402
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.5592148
• LogD (pH = 7.4): -2.9747863
• Log P: -0.33324218
• Molar Refractivity: 60.4517 cm^3
• Polarizability: 23.692034 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.384

Product Information

• Purity: 95%