5-[2-(3-methoxypropyl)piperidine-1-carbonyl]-1-methyl-1,2-dihydropyridin-2-one

• ChemBase ID: 765463
• Molecular Formular: C16H24N2O3
• Molecular Mass: 292.37336
• Monoisotopic Mass: 292.17869264
• SMILES: c1(C(=O)N2C(CCCOC)CCCC2)cn(c(=O)cc1)C
• Canonical SMILES: COCCCC1CCCCN1C(=O)c1ccc(=O)n(c1)C
• InChI: InChI=1S/C16H24N2O3/c1-17-12-13(8-9-15(17)19)16(20)18-10-4-3-6-14(18)7-5-11-21-2/h8-9,12,14H,3-7,10-11H2,1-2H3
• InChIKey: IWDZQKVYJMCUGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[2-(3-methoxypropyl)piperidine-1-carbonyl]-1-methyl-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 5-[2-(3-methoxypropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
• Synonyms: 5-{[2-(3-methoxypropyl)-1-piperidinyl]carbonyl}-1-methyl-2(1H)-pyridinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.7564788
• LogD (pH = 7.4): 0.7564814
• Log P: 0.75648147
• Molar Refractivity: 82.9225 cm^3
• Polarizability: 31.378796 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.23
• LOG S: -2.84
• Polar Surface Area: 51.54 Å^2
• Rotatable Bonds: 5