ethyl 4-{1,9-dimethyl-10-oxo-1,4,9-triazaspiro[5.6]dodecan-4-yl}piperidine-1-carboxylate

• ChemBase ID: 340230
• Molecular Formular: C19H34N4O3
• Molecular Mass: 366.49826
• Monoisotopic Mass: 366.26309097
• SMILES: C12(N(CCN(C1)C1CCN(C(=O)OCC)CC1)C)CCN(C(=O)CC2)C
• Canonical SMILES: CCOC(=O)N1CCC(CC1)N1CCN(C2(C1)CCC(=O)N(CC2)C)C
• InChI: InChI=1S/C19H34N4O3/c1-4-26-18(25)22-10-6-16(7-11-22)23-14-13-21(3)19(15-23)8-5-17(24)20(2)12-9-19/h16H,4-15H2,1-3H3
• InChIKey: IIWREPXFNQEKSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-{1,9-dimethyl-10-oxo-1,4,9-triazaspiro[5.6]dodecan-4-yl}piperidine-1-carboxylate
• IUPAC Traditional name: ethyl 4-{1,9-dimethyl-10-oxo-1,4,9-triazaspiro[5.6]dodecan-4-yl}piperidine-1-carboxylate
• Synonyms: ethyl 4-(1,9-dimethyl-10-oxo-1,4,9-triazaspiro[5.6]dodec-4-yl)piperidine-1-carboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.5013795
• LogD (pH = 7.4): -1.9898715
• Log P: -0.21687405
• Molar Refractivity: 101.7435 cm^3
• Polarizability: 39.715435 Å^3
• Polar Surface Area: 56.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.38
• LOG S: -2.2
• Polar Surface Area: 56.33 Å^2
• Rotatable Bonds: 3