tert-butyl 4-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]methoxy]ethyl]piperidine-1-carboxylate

C32H42N4O8 — CID 166066158

About tert-butyl 4-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]methoxy]ethyl]piperidine-1-carboxylate

tert-butyl 4-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]methoxy]ethyl]piperidine-1-carboxylate (PubChem CID 166066158) has the molecular formula C32H42N4O8 and a molecular weight of 610.71 g/mol. Its IUPAC name is tert-butyl 4-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]methoxy]ethyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]methoxy]ethyl]piperidine-1-carboxylate
• PubChem CID: 166066158
• Molecular Formula: C32H42N4O8
• Molecular Weight: 610.71 g/mol
• Exact Mass: 610.30
• IUPAC Name: tert-butyl 4-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]methoxy]ethyl]piperidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCC(CCOCC2CCN(C(=O)c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1
• InChI: InChI=1S/C32H42N4O8/c1-32(2,3)44-31(42)35-15-8-20(9-16-35)12-17-43-19-21-10-13-34(14-11-21)28(39)22-4-5-23-24(18-22)30(41)36(29(23)40)25-6-7-26(37)33-27(25)38/h4-5,18,20-21,25H,6-17,19H2,1-3H3,(H,33,37,38)
• InChIKey: GMDADFBNAQYDNE-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 142.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	610.71
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]methoxy]ethyl]piperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]methoxy]ethyl]piperidine-1-carboxylate (CID 166066158) is tert-butyl 4-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]methoxy]ethyl]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]methoxy]ethyl]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]methoxy]ethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCOCC2CCN(C(=O)c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1.

What is the InChIKey of tert-butyl 4-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]methoxy]ethyl]piperidine-1-carboxylate?

The InChIKey is GMDADFBNAQYDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N4O8/c1-32(2,3)44-31(42)35-15-8-20(9-16-35)12-17-43-19-21-10-13-34(14-11-21)28(39)22-4-5-23-24(18-22)30(41)36(29(23)40)25-6-7-26(37)33-27(25)38/h4-5,18,20-21,25H,6-17,19H2,1-3H3,(H,33,37,38).

What are the key properties of tert-butyl 4-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]methoxy]ethyl]piperidine-1-carboxylate?

tert-butyl 4-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]methoxy]ethyl]piperidine-1-carboxylate has a molecular weight of 610.71 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]methoxy]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 166066158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).