[1-[5-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]pentyl]piperidin-4-yl] carbamate

C26H33N5O8 — CID 175196222

About [1-[5-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]pentyl]piperidin-4-yl] carbamate

[1-[5-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]pentyl]piperidin-4-yl] carbamate (PubChem CID 175196222) has the molecular formula C26H33N5O8 and a molecular weight of 543.58 g/mol. Its IUPAC name is [1-[5-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]pentyl]piperidin-4-yl] carbamate.

Molecular Properties

• Compound Name: [1-[5-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]pentyl]piperidin-4-yl] carbamate
• PubChem CID: 175196222
• Molecular Formula: C26H33N5O8
• Molecular Weight: 543.58 g/mol
• Exact Mass: 543.23
• IUPAC Name: [1-[5-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]pentyl]piperidin-4-yl] carbamate
• SMILES: NC(=O)OC1CCN(CCCCCNC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
• InChI: InChI=1S/C26H33N5O8/c27-26(37)39-16-9-13-30(14-10-16)12-3-1-2-11-28-21(33)15-38-19-6-4-5-17-22(19)25(36)31(24(17)35)18-7-8-20(32)29-23(18)34/h4-6,16,18H,1-3,7-15H2,(H2,27,37)(H,28,33)(H,29,32,34)
• InChIKey: LUANZULDYBGCOR-UHFFFAOYSA-N
• XLogP: 0.31
• TPSA: 177.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.58
LogP ≤ 5	0.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

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 [1-[5-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]pentyl]piperidin-4-yl] carbamate?

The IUPAC name of [1-[5-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]pentyl]piperidin-4-yl] carbamate (CID 175196222) is [1-[5-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]pentyl]piperidin-4-yl] carbamate.

What is the SMILES notation for [1-[5-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]pentyl]piperidin-4-yl] carbamate?

The canonical SMILES for [1-[5-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]pentyl]piperidin-4-yl] carbamate is NC(=O)OC1CCN(CCCCCNC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.

What is the InChIKey of [1-[5-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]pentyl]piperidin-4-yl] carbamate?

The InChIKey is LUANZULDYBGCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O8/c27-26(37)39-16-9-13-30(14-10-16)12-3-1-2-11-28-21(33)15-38-19-6-4-5-17-22(19)25(36)31(24(17)35)18-7-8-20(32)29-23(18)34/h4-6,16,18H,1-3,7-15H2,(H2,27,37)(H,28,33)(H,29,32,34).

What are the key properties of [1-[5-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]pentyl]piperidin-4-yl] carbamate?

[1-[5-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]pentyl]piperidin-4-yl] carbamate has a molecular weight of 543.58 g/mol, XLogP of 0.31, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[5-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]pentyl]piperidin-4-yl] carbamate is sourced from PubChem (CID 175196222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).