1-[2-(morpholin-4-yl)acetyl]-3',4'-dihydro-1'H-spiro[piperidine-4,2'-quinoxaline]-3'-one

• ChemBase ID: 404081
• Molecular Formular: C18H24N4O3
• Molecular Mass: 344.40816
• Monoisotopic Mass: 344.18484065
• SMILES: C12(C(=O)Nc3c(N1)cccc3)CCN(C(=O)CN1CCOCC1)CC2
• Canonical SMILES: O=C(N1CCC2(CC1)Nc1ccccc1NC2=O)CN1CCOCC1
• InChI: InChI=1S/C18H24N4O3/c23-16(13-21-9-11-25-12-10-21)22-7-5-18(6-8-22)17(24)19-14-3-1-2-4-15(14)20-18/h1-4,20H,5-13H2,(H,19,24)
• InChIKey: QLYZGSQTTLYAPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(morpholin-4-yl)acetyl]-3',4'-dihydro-1'H-spiro[piperidine-4,2'-quinoxaline]-3'-one
• IUPAC Traditional name: 1-[2-(morpholin-4-yl)acetyl]-1',4'-dihydrospiro[piperidine-4,2'-quinoxaline]-3'-one
• Synonyms: 1-(4-morpholinylacetyl)-1',4'-dihydro-3'H-spiro[piperidine-4,2'-quinoxalin]-3'-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.867604
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.9054734
• LogD (pH = 7.4): -0.46976736
• Log P: -0.46009102
• Molar Refractivity: 96.8213 cm^3
• Polarizability: 36.03082 Å^3
• Polar Surface Area: 73.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.64
• LOG S: -2.26
• Polar Surface Area: 73.91 Å^2
• Rotatable Bonds: 2