1-{2-[4-(benzyloxy)piperidin-1-yl]-2-oxoethyl}-1,2-dihydroquinoxalin-2-one

• ChemBase ID: 548554
• Molecular Formular: C22H23N3O3
• Molecular Mass: 377.43632
• Monoisotopic Mass: 377.17394161
• SMILES: n1(c(=O)cnc2c1cccc2)CC(=O)N1CCC(CC1)OCc1ccccc1
• Canonical SMILES: O=C(N1CCC(CC1)OCc1ccccc1)Cn1c(=O)cnc2c1cccc2
• InChI: InChI=1S/C22H23N3O3/c26-21-14-23-19-8-4-5-9-20(19)25(21)15-22(27)24-12-10-18(11-13-24)28-16-17-6-2-1-3-7-17/h1-9,14,18H,10-13,15-16H2
• InChIKey: SFLNXURPGRCNRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-[4-(benzyloxy)piperidin-1-yl]-2-oxoethyl}-1,2-dihydroquinoxalin-2-one
• IUPAC Traditional name: 1-{2-[4-(benzyloxy)piperidin-1-yl]-2-oxoethyl}quinoxalin-2-one
• Synonyms: 1-{2-[4-(benzyloxy)piperidin-1-yl]-2-oxoethyl}quinoxalin-2(1H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.266266
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9296813
• LogD (pH = 7.4): 1.929691
• Log P: 1.9296911
• Molar Refractivity: 108.3691 cm^3
• Polarizability: 40.681023 Å^3
• Polar Surface Area: 62.21 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.67
• LOG S: -4.23
• Polar Surface Area: 64.43 Å^2
• Rotatable Bonds: 5