4-(2-{3,9-diazaspiro[5.5]undecan-3-yl}-2-oxoethyl)morpholin-2-one

• ChemBase ID: 424639
• Molecular Formular: C15H25N3O3
• Molecular Mass: 295.3773
• Monoisotopic Mass: 295.18959168
• SMILES: N1(C(=O)CN2CC(=O)OCC2)CCC2(CC1)CCNCC2
• Canonical SMILES: O=C1OCCN(C1)CC(=O)N1CCC2(CC1)CCNCC2
• InChI: InChI=1S/C15H25N3O3/c19-13(11-17-9-10-21-14(20)12-17)18-7-3-15(4-8-18)1-5-16-6-2-15/h16H,1-12H2
• InChIKey: ZJLXTBIEWORFPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-{3,9-diazaspiro[5.5]undecan-3-yl}-2-oxoethyl)morpholin-2-one
• IUPAC Traditional name: 4-(2-{3,9-diazaspiro[5.5]undecan-3-yl}-2-oxoethyl)morpholin-2-one
• Synonyms: 4-[2-(3,9-diazaspiro[5.5]undec-3-yl)-2-oxoethyl]morpholin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.182561
• LogD (pH = 7.4): -3.6994703
• Log P: -0.94159716
• Molar Refractivity: 78.9689 cm^3
• Polarizability: 31.22289 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.36
• LOG S: -2.36
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 2