5,6-dimethyl-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1,2-dihydropyridin-2-one

• ChemBase ID: 832473
• Molecular Formular: C19H23N3O3
• Molecular Mass: 341.40422
• Monoisotopic Mass: 341.17394161
• SMILES: c1(c(=O)[nH]c(c(c1)C)C)C(=O)N1CCC(CC1)OCc1ncccc1
• Canonical SMILES: O=C(c1cc(C)c([nH]c1=O)C)N1CCC(CC1)OCc1ccccn1
• InChI: InChI=1S/C19H23N3O3/c1-13-11-17(18(23)21-14(13)2)19(24)22-9-6-16(7-10-22)25-12-15-5-3-4-8-20-15/h3-5,8,11,16H,6-7,9-10,12H2,1-2H3,(H,21,23)
• InChIKey: GOYDHSDTNHEENV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-dimethyl-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 5,6-dimethyl-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyridin-2-one
• Synonyms: 5,6-dimethyl-3-{[4-(2-pyridinylmethoxy)-1-piperidinyl]carbonyl}-2(1H)-pyridinone

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.002625
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.23126546
• LogD (pH = 7.4): 0.23920761
• Log P: 0.23940717
• Molar Refractivity: 96.2453 cm^3
• Polarizability: 36.385525 Å^3
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.44
• LOG S: -0.76
• Polar Surface Area: 75.29 Å^2
• Rotatable Bonds: 4