[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]acetyl] 2,2,2-trifluoroacetate

C24H23F3N4O7 — CID 162482484

About [2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]acetyl] 2,2,2-trifluoroacetate

[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]acetyl] 2,2,2-trifluoroacetate (PubChem CID 162482484) has the molecular formula C24H23F3N4O7 and a molecular weight of 536.46 g/mol. Its IUPAC name is [2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]acetyl] 2,2,2-trifluoroacetate.

Molecular Properties

• Compound Name: [2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]acetyl] 2,2,2-trifluoroacetate
• PubChem CID: 162482484
• Molecular Formula: C24H23F3N4O7
• Molecular Weight: 536.46 g/mol
• Exact Mass: 536.15
• IUPAC Name: [2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]acetyl] 2,2,2-trifluoroacetate
• SMILES: O=C1CCC(N2C(=O)c3ccc(N4CC5(CCN(CC(=O)OC(=O)C(F)(F)F)CC5)C4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C24H23F3N4O7/c25-24(26,27)22(37)38-18(33)10-29-7-5-23(6-8-29)11-30(12-23)13-1-2-14-15(9-13)21(36)31(20(14)35)16-3-4-17(32)28-19(16)34/h1-2,9,16H,3-8,10-12H2,(H,28,32,34)
• InChIKey: BWVLKJNTRRMYNZ-UHFFFAOYSA-N
• XLogP: 0.62
• TPSA: 133.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.46
LogP ≤ 5	0.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]acetyl] 2,2,2-trifluoroacetate?

The IUPAC name of [2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]acetyl] 2,2,2-trifluoroacetate (CID 162482484) is [2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]acetyl] 2,2,2-trifluoroacetate.

What is the SMILES notation for [2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]acetyl] 2,2,2-trifluoroacetate?

The canonical SMILES for [2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]acetyl] 2,2,2-trifluoroacetate is O=C1CCC(N2C(=O)c3ccc(N4CC5(CCN(CC(=O)OC(=O)C(F)(F)F)CC5)C4)cc3C2=O)C(=O)N1.

What is the InChIKey of [2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]acetyl] 2,2,2-trifluoroacetate?

The InChIKey is BWVLKJNTRRMYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O7/c25-24(26,27)22(37)38-18(33)10-29-7-5-23(6-8-29)11-30(12-23)13-1-2-14-15(9-13)21(36)31(20(14)35)16-3-4-17(32)28-19(16)34/h1-2,9,16H,3-8,10-12H2,(H,28,32,34).

What are the key properties of [2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]acetyl] 2,2,2-trifluoroacetate?

[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]acetyl] 2,2,2-trifluoroacetate has a molecular weight of 536.46 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]acetyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 162482484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).