tert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]spiro[3.5]nonan-7-yl]-N-methylcarbamate

C28H36N4O6 — CID 155437854

About tert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]spiro[3.5]nonan-7-yl]-N-methylcarbamate

tert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]spiro[3.5]nonan-7-yl]-N-methylcarbamate (PubChem CID 155437854) has the molecular formula C28H36N4O6 and a molecular weight of 524.62 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]spiro[3.5]nonan-7-yl]-N-methylcarbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]spiro[3.5]nonan-7-yl]-N-methylcarbamate
• PubChem CID: 155437854
• Molecular Formula: C28H36N4O6
• Molecular Weight: 524.62 g/mol
• Exact Mass: 524.26
• IUPAC Name: tert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]spiro[3.5]nonan-7-yl]-N-methylcarbamate
• SMILES: CN(C(=O)OC(C)(C)C)C1CCC2(CC1)CC(Nc1ccc3c(c1)C(=O)N(C1CCC(=O)NC1=O)C3=O)C2
• InChI: InChI=1S/C28H36N4O6/c1-27(2,3)38-26(37)31(4)18-9-11-28(12-10-18)14-17(15-28)29-16-5-6-19-20(13-16)25(36)32(24(19)35)21-7-8-22(33)30-23(21)34/h5-6,13,17-18,21,29H,7-12,14-15H2,1-4H3,(H,30,33,34)
• InChIKey: AZIWTRSXCNCLSK-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 125.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.62
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	2
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 N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]spiro[3.5]nonan-7-yl]-N-methylcarbamate?

The IUPAC name of tert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]spiro[3.5]nonan-7-yl]-N-methylcarbamate (CID 155437854) is tert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]spiro[3.5]nonan-7-yl]-N-methylcarbamate.

What is the SMILES notation for tert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]spiro[3.5]nonan-7-yl]-N-methylcarbamate?

The canonical SMILES for tert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]spiro[3.5]nonan-7-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C1CCC2(CC1)CC(Nc1ccc3c(c1)C(=O)N(C1CCC(=O)NC1=O)C3=O)C2.

What is the InChIKey of tert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]spiro[3.5]nonan-7-yl]-N-methylcarbamate?

The InChIKey is AZIWTRSXCNCLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O6/c1-27(2,3)38-26(37)31(4)18-9-11-28(12-10-18)14-17(15-28)29-16-5-6-19-20(13-16)25(36)32(24(19)35)21-7-8-22(33)30-23(21)34/h5-6,13,17-18,21,29H,7-12,14-15H2,1-4H3,(H,30,33,34).

What are the key properties of tert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]spiro[3.5]nonan-7-yl]-N-methylcarbamate?

tert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]spiro[3.5]nonan-7-yl]-N-methylcarbamate has a molecular weight of 524.62 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]spiro[3.5]nonan-7-yl]-N-methylcarbamate is sourced from PubChem (CID 155437854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).