7-(oxan-4-yl)-2-[(2E)-3-phenylprop-2-en-1-yl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 388197
• Molecular Formular: C22H30N2O2
• Molecular Mass: 354.4858
• Monoisotopic Mass: 354.23072821
• SMILES: C1(=O)C2(CN(CC2)C/C=C/c2ccccc2)CCCN1C1CCOCC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)C/C=C/c1ccccc1)C1CCOCC1
• InChI: InChI=1S/C22H30N2O2/c25-21-22(11-5-14-24(21)20-9-16-26-17-10-20)12-15-23(18-22)13-4-8-19-6-2-1-3-7-19/h1-4,6-8,20H,5,9-18H2/b8-4+
• InChIKey: DGUVGOXCKUPGKU-XBXARRHUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(oxan-4-yl)-2-[(2E)-3-phenylprop-2-en-1-yl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(oxan-4-yl)-2-[(2E)-3-phenylprop-2-en-1-yl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[(2E)-3-phenyl-2-propen-1-yl]-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.8626544
• LogD (pH = 7.4): 0.6093159
• Log P: 2.4376533
• Molar Refractivity: 106.0077 cm^3
• Polarizability: 40.874207 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.74
• LOG S: -4.12
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4