ethyl 4-[7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-2-yl]piperidine-1-carboxylate

• ChemBase ID: 769311
• Molecular Formular: C23H41N3O2
• Molecular Mass: 391.59054
• Monoisotopic Mass: 391.31987757
• SMILES: N1(CC2(CN(CC3CCCCC3)CCC2)CC1)C1CCN(C(=O)OCC)CC1
• Canonical SMILES: CCOC(=O)N1CCC(CC1)N1CCC2(C1)CCCN(C2)CC1CCCCC1
• InChI: InChI=1S/C23H41N3O2/c1-2-28-22(27)25-14-9-21(10-15-25)26-16-12-23(19-26)11-6-13-24(18-23)17-20-7-4-3-5-8-20/h20-21H,2-19H2,1H3
• InChIKey: RMSYFWUYLOBOJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-[7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-2-yl]piperidine-1-carboxylate
• IUPAC Traditional name: ethyl 4-[7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-2-yl]piperidine-1-carboxylate
• Synonyms: ethyl 4-[7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]dec-2-yl]-1-piperidinecarboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.0041635
• LogD (pH = 7.4): -0.8166633
• Log P: 3.0820346
• Molar Refractivity: 114.6092 cm^3
• Polarizability: 45.129665 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.07
• LOG S: -4.04
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 3