3-{1-[2-(morpholin-4-yl)-2-(pyridin-3-yl)acetyl]piperidin-4-yl}-1,3-oxazolidin-2-one

• ChemBase ID: 557418
• Molecular Formular: C19H26N4O4
• Molecular Mass: 374.43414
• Monoisotopic Mass: 374.19540533
• SMILES: C(=O)(N1CCC(N2C(=O)OCC2)CC1)C(N1CCOCC1)c1cnccc1
• Canonical SMILES: O=C(C(c1cccnc1)N1CCOCC1)N1CCC(CC1)N1CCOC1=O
• InChI: InChI=1S/C19H26N4O4/c24-18(22-6-3-16(4-7-22)23-10-13-27-19(23)25)17(15-2-1-5-20-14-15)21-8-11-26-12-9-21/h1-2,5,14,16-17H,3-4,6-13H2
• InChIKey: HMOUBGSHUNAOQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{1-[2-(morpholin-4-yl)-2-(pyridin-3-yl)acetyl]piperidin-4-yl}-1,3-oxazolidin-2-one
• IUPAC Traditional name: 3-{1-[2-(morpholin-4-yl)-2-(pyridin-3-yl)acetyl]piperidin-4-yl}-1,3-oxazolidin-2-one
• Synonyms: 3-{1-[4-morpholinyl(3-pyridinyl)acetyl]-4-piperidinyl}-1,3-oxazolidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.6738616
• LogD (pH = 7.4): -0.49257725
• Log P: -0.48971453
• Molar Refractivity: 98.3407 cm^3
• Polarizability: 38.40161 Å^3
• Polar Surface Area: 75.21 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.31
• LOG S: -1.68
• Polar Surface Area: 75.21 Å^2
• Rotatable Bonds: 4