2-[4-(morpholin-4-yl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 491246
• Molecular Formular: C19H25N3O3
• Molecular Mass: 343.4201
• Monoisotopic Mass: 343.18959168
• SMILES: N1(C(=O)c2ccc(N3CCOCC3)cc2)CC2(C(=O)NCCC2)CC1
• Canonical SMILES: O=C1NCCCC21CCN(C2)C(=O)c1ccc(cc1)N1CCOCC1
• InChI: InChI=1S/C19H25N3O3/c23-17(22-9-7-19(14-22)6-1-8-20-18(19)24)15-2-4-16(5-3-15)21-10-12-25-13-11-21/h2-5H,1,6-14H2,(H,20,24)
• InChIKey: GWIZSXVMQAPXPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(morpholin-4-yl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-[4-(morpholin-4-yl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[4-(4-morpholinyl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.177421
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.8890132
• LogD (pH = 7.4): 0.88901454
• Log P: 0.8890146
• Molar Refractivity: 96.1491 cm^3
• Polarizability: 36.13396 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: 3
• H Donor: 1
• Log P: -1.1
• LOG S: -2.08
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 2