(2,2,5',5',6,6,7',7'-octamethyl-4-oxo-3',4',7',8'-tetrahydro-1H-spiro[piperidine-3,2'-pyrano[3,2-c]pyridine]-1,6'(5'H)-diyl)bis(oxidanyl)

• ChemBase ID: 181749
• Molecular Formular: C20H32N2O4
• Molecular Mass: 364.47908
• Monoisotopic Mass: 364.23620751
• SMILES: C12(C(N(C(CC1=O)(C)C)[O])(C)C)OC1=C(C(N(C(C1)(C)C)[O])(C)C)CC2
• Canonical SMILES: [O]N1C(C)(C)CC2=C(C1(C)C)CCC1(O2)C(=O)CC(N(C1(C)C)[O])(C)C
• InChI: InChI=1S/C20H32N2O4/c1-16(2)11-14-13(18(5,6)21(16)24)9-10-20(26-14)15(23)12-17(3,4)22(25)19(20,7)8/h9-12H2,1-8H3
• InChIKey: QDAFKIPHFUVRPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2,5',5',6,6,7',7'-octamethyl-4-oxo-3',4',7',8'-tetrahydro-1H-spiro[piperidine-3,2'-pyrano[3,2-c]pyridine]-1,6'(5'H)-diyl)bis(oxidanyl)
• IUPAC Traditional name: (2,2,5',5',6,6,7',7'-octamethyl-4-oxo-3',4',7',8'-tetrahydro-1H-spiro[piperidine-3,2'-pyrano[3,2-c]pyridine]-1,6'(5'H)-diyl)bis(oxidanyl)

Database IDs

• PubChem SID: 164237659
• PubChem CID: 16395271

CALCULATED PROPERTIES

• Acid pKa: 17.73379
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.7434928
• LogD (pH = 7.4): 1.7434928
• Log P: 1.7434928
• Molar Refractivity: 99.4275 cm^3
• Polarizability: 39.35683 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds