7-(oxan-4-yl)-2-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 625780
• Molecular Formular: C21H30N2O2
• Molecular Mass: 342.4751
• Monoisotopic Mass: 342.23072821
• SMILES: C1(=O)C2(CN(CC2)CCc2ccccc2)CCCN1C1CCOCC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)CCc1ccccc1)C1CCOCC1
• InChI: InChI=1S/C21H30N2O2/c24-20-21(10-4-12-23(20)19-8-15-25-16-9-19)11-14-22(17-21)13-7-18-5-2-1-3-6-18/h1-3,5-6,19H,4,7-17H2
• InChIKey: KUAQLPPOTMKDSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(oxan-4-yl)-2-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(oxan-4-yl)-2-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(2-phenylethyl)-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): -1.3433579
• LogD (pH = 7.4): -0.43206677
• Log P: 2.1163988
• Molar Refractivity: 100.4441 cm^3
• Polarizability: 39.11766 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: 2.5
• LOG S: -3.83
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4