N-methyl-3-(piperidin-3-yl)propanamide

• ChemBase ID: 309451
• Molecular Formular: C9H18N2O
• Molecular Mass: 170.25202
• Monoisotopic Mass: 170.14191321
• SMILES: C(=O)(NC)CCC1CNCCC1
• Canonical SMILES: CNC(=O)CCC1CCCNC1
• InChI: InChI=1S/C9H18N2O/c1-10-9(12)5-4-8-3-2-6-11-7-8/h8,11H,2-7H2,1H3,(H,10,12)
• InChIKey: VEVZDWIASCMNCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-(piperidin-3-yl)propanamide
• IUPAC Traditional name: N-methyl-3-(piperidin-3-yl)propanamide
• Synonyms: N-methyl-3-(3-piperidinyl)propanamide

Database IDs

• CAS Number: 1248003-32-8
• MDL Number: MFCD16085028

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.2188036
• LogD (pH = 7.4): -2.6528618
• Log P: 0.008089503
• Molar Refractivity: 48.8933 cm^3
• Polarizability: 19.311396 Å^3
• Polar Surface Area: 41.13 Å^2