tert-butyl 7-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.4]octane-2-carboxylate

C24H27FN4O6 — CID 167417615

About tert-butyl 7-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.4]octane-2-carboxylate

tert-butyl 7-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.4]octane-2-carboxylate (PubChem CID 167417615) has the molecular formula C24H27FN4O6 and a molecular weight of 486.50 g/mol. Its IUPAC name is tert-butyl 7-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.4]octane-2-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 7-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.4]octane-2-carboxylate
• PubChem CID: 167417615
• Molecular Formula: C24H27FN4O6
• Molecular Weight: 486.50 g/mol
• Exact Mass: 486.19
• IUPAC Name: tert-butyl 7-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.4]octane-2-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CC2(CCN(c3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)C1
• InChI: InChI=1S/C24H27FN4O6/c1-23(2,3)35-22(34)28-11-24(12-28)6-7-27(10-24)17-9-14-13(8-15(17)25)20(32)29(21(14)33)16-4-5-18(30)26-19(16)31/h8-9,16H,4-7,10-12H2,1-3H3,(H,26,30,31)
• InChIKey: DSFBCIJHUNMDAZ-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 116.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.50
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.4]octane-2-carboxylate?

The IUPAC name of tert-butyl 7-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.4]octane-2-carboxylate (CID 167417615) is tert-butyl 7-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.4]octane-2-carboxylate.

What is the SMILES notation for tert-butyl 7-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.4]octane-2-carboxylate?

The canonical SMILES for tert-butyl 7-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.4]octane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(CCN(c3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)C1.

What is the InChIKey of tert-butyl 7-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.4]octane-2-carboxylate?

The InChIKey is DSFBCIJHUNMDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O6/c1-23(2,3)35-22(34)28-11-24(12-28)6-7-27(10-24)17-9-14-13(8-15(17)25)20(32)29(21(14)33)16-4-5-18(30)26-19(16)31/h8-9,16H,4-7,10-12H2,1-3H3,(H,26,30,31).

What are the key properties of tert-butyl 7-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.4]octane-2-carboxylate?

tert-butyl 7-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.4]octane-2-carboxylate has a molecular weight of 486.50 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 7-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.4]octane-2-carboxylate is sourced from PubChem (CID 167417615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).