2-(cyclohex-1-ene-1-carbonyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 553546
• Molecular Formular: C23H32N2O
• Molecular Mass: 352.51298
• Monoisotopic Mass: 352.25146365
• SMILES: N1(C(=O)C2=CCCCC2)CC2(CN(CCc3ccccc3)CCC2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2)CCc1ccccc1)C1=CCCCC1
• InChI: InChI=1S/C23H32N2O/c26-22(21-10-5-2-6-11-21)25-17-14-23(19-25)13-7-15-24(18-23)16-12-20-8-3-1-4-9-20/h1,3-4,8-10H,2,5-7,11-19H2
• InChIKey: CEBXPKBXROLXHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclohex-1-ene-1-carbonyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-(cyclohex-1-ene-1-carbonyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 2-(1-cyclohexen-1-ylcarbonyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.6288539
• LogD (pH = 7.4): 2.0796072
• Log P: 3.9418705
• Molar Refractivity: 108.4866 cm^3
• Polarizability: 41.894382 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.68
• LOG S: -4.82
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4