2-[4-(morpholine-4-carbonyl)pyridin-2-yl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 580509
• Molecular Formular: C18H24N4O3
• Molecular Mass: 344.40816
• Monoisotopic Mass: 344.18484065
• SMILES: C12(C(=O)NCCC2)CN(c2cc(C(=O)N3CCOCC3)ccn2)CC1
• Canonical SMILES: O=C1NCCCC21CCN(C2)c1nccc(c1)C(=O)N1CCOCC1
• InChI: InChI=1S/C18H24N4O3/c23-16(21-8-10-25-11-9-21)14-2-6-19-15(12-14)22-7-4-18(13-22)3-1-5-20-17(18)24/h2,6,12H,1,3-5,7-11,13H2,(H,20,24)
• InChIKey: VEYLXJNWVZVWDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(morpholine-4-carbonyl)pyridin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-[4-(morpholine-4-carbonyl)pyridin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[4-(4-morpholinylcarbonyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.77631
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.21186924
• LogD (pH = 7.4): 0.2650741
• Log P: 0.26579973
• Molar Refractivity: 94.3057 cm^3
• Polarizability: 35.266045 Å^3
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -2.2
• LOG S: -1.14
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 2