N-(1-methoxypropan-2-yl)piperidine-4-carboxamide

• ChemBase ID: 311631
• Molecular Formular: C10H20N2O2
• Molecular Mass: 200.278
• Monoisotopic Mass: 200.15247789
• SMILES: C(=O)(NC(COC)C)C1CCNCC1
• Canonical SMILES: COCC(NC(=O)C1CCNCC1)C
• InChI: InChI=1S/C10H20N2O2/c1-8(7-14-2)12-10(13)9-3-5-11-6-4-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)
• InChIKey: IUIFVBCQSWMSTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
• IUPAC Traditional name: N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
• Synonyms: N-(2-methoxy-1-methylethyl)piperidine-4-carboxamide

Database IDs

• CAS Number: 884497-61-4
• MDL Number: MFCD05863700

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.5594063
• LogD (pH = 7.4): -2.9749787
• Log P: -0.33343485
• Molar Refractivity: 55.2565 cm^3
• Polarizability: 21.854008 Å^3
• Polar Surface Area: 50.36 Å^2