1-(3-{3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-3-oxopropyl)-6-methyl-1,2-dihydropyridin-2-one

• ChemBase ID: 836399
• Molecular Formular: C19H26N4O4
• Molecular Mass: 374.43414
• Monoisotopic Mass: 374.19540533
• SMILES: n1c(onc1CCOC)C1CN(C(=O)CCn2c(=O)cccc2C)CCC1
• Canonical SMILES: COCCc1noc(n1)C1CCCN(C1)C(=O)CCn1c(C)cccc1=O
• InChI: InChI=1S/C19H26N4O4/c1-14-5-3-7-18(25)23(14)11-8-17(24)22-10-4-6-15(13-22)19-20-16(21-27-19)9-12-26-2/h3,5,7,15H,4,6,8-13H2,1-2H3
• InChIKey: GFDVBFSPQAFFDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-{3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-3-oxopropyl)-6-methyl-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 1-(3-{3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-3-oxopropyl)-6-methylpyridin-2-one
• Synonyms: 1-(3-{3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl}-3-oxopropyl)-6-methyl-2(1H)-pyridinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.8582389
• LogD (pH = 7.4): 0.858239
• Log P: 0.858239
• Molar Refractivity: 103.6369 cm^3
• Polarizability: 37.904114 Å^3
• Polar Surface Area: 88.77 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.32
• LOG S: -3.51
• Polar Surface Area: 90.46 Å^2
• Rotatable Bonds: 7