tert-butyl 6-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate

C25H30N4O7 — CID 165371586

About tert-butyl 6-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate

tert-butyl 6-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate (PubChem CID 165371586) has the molecular formula C25H30N4O7 and a molecular weight of 498.54 g/mol. Its IUPAC name is tert-butyl 6-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 6-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
• PubChem CID: 165371586
• Molecular Formula: C25H30N4O7
• Molecular Weight: 498.54 g/mol
• Exact Mass: 498.21
• IUPAC Name: tert-butyl 6-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CC2(CN(CCOc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)C1
• InChI: InChI=1S/C25H30N4O7/c1-24(2,3)36-23(34)28-13-25(14-28)11-27(12-25)8-9-35-15-4-5-16-17(10-15)22(33)29(21(16)32)18-6-7-19(30)26-20(18)31/h4-5,10,18H,6-9,11-14H2,1-3H3,(H,26,30,31)
• InChIKey: LDCRTGBRPKXGEV-UHFFFAOYSA-N
• XLogP: 1.02
• TPSA: 125.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.54
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate?

The IUPAC name of tert-butyl 6-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate (CID 165371586) is tert-butyl 6-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate.

What is the SMILES notation for tert-butyl 6-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate?

The canonical SMILES for tert-butyl 6-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(CN(CCOc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)C1.

What is the InChIKey of tert-butyl 6-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate?

The InChIKey is LDCRTGBRPKXGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O7/c1-24(2,3)36-23(34)28-13-25(14-28)11-27(12-25)8-9-35-15-4-5-16-17(10-15)22(33)29(21(16)32)18-6-7-19(30)26-20(18)31/h4-5,10,18H,6-9,11-14H2,1-3H3,(H,26,30,31).

What are the key properties of tert-butyl 6-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate?

tert-butyl 6-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate has a molecular weight of 498.54 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 6-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate is sourced from PubChem (CID 165371586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).