methyl 1-methoxy-2-oxo-8-[1-(pyridin-2-yl)piperidine-3-carbonyl]-1,8-diazaspiro[4.5]decane-4-carboxylate

• ChemBase ID: 575996
• Molecular Formular: C22H30N4O5
• Molecular Mass: 430.4974
• Monoisotopic Mass: 430.22162008
• SMILES: C12(C(CC(=O)N1OC)C(=O)OC)CCN(C(=O)C1CN(c3ncccc3)CCC1)CC2
• Canonical SMILES: CON1C(=O)CC(C21CCN(CC2)C(=O)C1CCCN(C1)c1ccccn1)C(=O)OC
• InChI: InChI=1S/C22H30N4O5/c1-30-21(29)17-14-19(27)26(31-2)22(17)8-12-24(13-9-22)20(28)16-6-5-11-25(15-16)18-7-3-4-10-23-18/h3-4,7,10,16-17H,5-6,8-9,11-15H2,1-2H3
• InChIKey: ZBDMLYKSABHBRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 1-methoxy-2-oxo-8-[1-(pyridin-2-yl)piperidine-3-carbonyl]-1,8-diazaspiro[4.5]decane-4-carboxylate
• IUPAC Traditional name: methyl 1-methoxy-2-oxo-8-[1-(pyridin-2-yl)piperidine-3-carbonyl]-1,8-diazaspiro[4.5]decane-4-carboxylate
• Synonyms: methyl 1-methoxy-2-oxo-8-{[1-(2-pyridinyl)-3-piperidinyl]carbonyl}-1,8-diazaspiro[4.5]decane-4-carboxylate

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.876945
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.47209787
• LogD (pH = 7.4): 0.36394003
• Log P: 0.4076235
• Molar Refractivity: 113.1991 cm^3
• Polarizability: 43.64681 Å^3
• Polar Surface Area: 92.28 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.49
• LOG S: -2.76
• Polar Surface Area: 92.28 Å^2
• Rotatable Bonds: 5