2-cyclohexanecarbonyl-7-[2-methyl-2-(morpholin-4-yl)propyl]-2,7-diazaspiro[4.5]decane

• ChemBase ID: 859773
• Molecular Formular: C23H41N3O2
• Molecular Mass: 391.59054
• Monoisotopic Mass: 391.31987757
• SMILES: N1(C(=O)C2CCCCC2)CC2(CN(CC(N3CCOCC3)(C)C)CCC2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2)CC(N1CCOCC1)(C)C)C1CCCCC1
• InChI: InChI=1S/C23H41N3O2/c1-22(2,26-13-15-28-16-14-26)17-24-11-6-9-23(18-24)10-12-25(19-23)21(27)20-7-4-3-5-8-20/h20H,3-19H2,1-2H3
• InChIKey: PARHUBPCCGSPAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclohexanecarbonyl-7-[2-methyl-2-(morpholin-4-yl)propyl]-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-cyclohexanecarbonyl-7-[2-methyl-2-(morpholin-4-yl)propyl]-2,7-diazaspiro[4.5]decane
• Synonyms: 2-(cyclohexylcarbonyl)-7-(2-methyl-2-morpholin-4-ylpropyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.8759032
• LogD (pH = 7.4): 0.30981293
• Log P: 2.575644
• Molar Refractivity: 114.3937 cm^3
• Polarizability: 45.129665 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.0
• LOG S: -4.62
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 4