N-benzyl-N-ethylpiperidine-4-carboxamide

• ChemBase ID: 311628
• Molecular Formular: C15H22N2O
• Molecular Mass: 246.34798
• Monoisotopic Mass: 246.17321333
• SMILES: C(=O)(N(Cc1ccccc1)CC)C1CCNCC1
• Canonical SMILES: CCN(C(=O)C1CCNCC1)Cc1ccccc1
• InChI: InChI=1S/C15H22N2O/c1-2-17(12-13-6-4-3-5-7-13)15(18)14-8-10-16-11-9-14/h3-7,14,16H,2,8-12H2,1H3
• InChIKey: YGSADUQWAHCUDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-ethylpiperidine-4-carboxamide
• IUPAC Traditional name: N-benzyl-N-ethylpiperidine-4-carboxamide
• Synonyms: N-benzyl-N-ethylpiperidine-4-carboxamide

Database IDs

• CAS Number: 429639-61-2
• MDL Number: MFCD03137452

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6240485
• LogD (pH = 7.4): -1.0396127
• Log P: 1.6019228
• Molar Refractivity: 74.0521 cm^3
• Polarizability: 28.916986 Å^3
• Polar Surface Area: 32.34 Å^2