2-[(dimethyl-1,2-oxazol-4-yl)methyl]-8-(piperidin-3-yl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 553807
• Molecular Formular: C19H30N4O2
• Molecular Mass: 346.4671
• Monoisotopic Mass: 346.23687622
• SMILES: c1(CN2C(=O)CC3(C2)CCN(CC3)C2CNCCC2)c(onc1C)C
• Canonical SMILES: O=C1CC2(CN1Cc1c(C)noc1C)CCN(CC2)C1CCCNC1
• InChI: InChI=1S/C19H30N4O2/c1-14-17(15(2)25-21-14)12-23-13-19(10-18(23)24)5-8-22(9-6-19)16-4-3-7-20-11-16/h16,20H,3-13H2,1-2H3
• InChIKey: FCJCVXYMEUTPKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(dimethyl-1,2-oxazol-4-yl)methyl]-8-(piperidin-3-yl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-[(dimethyl-1,2-oxazol-4-yl)methyl]-8-(piperidin-3-yl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-[(3,5-dimethylisoxazol-4-yl)methyl]-8-piperidin-3-yl-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.449185
• LogD (pH = 7.4): -2.4301698
• Log P: 0.15125528
• Molar Refractivity: 98.2806 cm^3
• Polarizability: 37.697586 Å^3
• Polar Surface Area: 61.61 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.81
• LOG S: -2.42
• Polar Surface Area: 61.61 Å^2
• Rotatable Bonds: 3