4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]piperidine-1-carbaldehyde

C24H29N3O7 — CID 134492831

About 4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]piperidine-1-carbaldehyde

4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]piperidine-1-carbaldehyde (PubChem CID 134492831) has the molecular formula C24H29N3O7 and a molecular weight of 471.51 g/mol. Its IUPAC name is 4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]piperidine-1-carbaldehyde.

Molecular Properties

• Compound Name: 4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]piperidine-1-carbaldehyde
• PubChem CID: 134492831
• Molecular Formula: C24H29N3O7
• Molecular Weight: 471.51 g/mol
• Exact Mass: 471.20
• IUPAC Name: 4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]piperidine-1-carbaldehyde
• SMILES: O=CN1CCC(OCCCCCOc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
• InChI: InChI=1S/C24H29N3O7/c28-15-26-10-8-16(9-11-26)33-12-2-1-3-13-34-17-4-5-18-19(14-17)24(32)27(23(18)31)20-6-7-21(29)25-22(20)30/h4-5,14-16,20H,1-3,6-13H2,(H,25,29,30)
• InChIKey: QCMKHSGJHILHIL-UHFFFAOYSA-N
• XLogP: 1.27
• TPSA: 122.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.51
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]piperidine-1-carbaldehyde?

The IUPAC name of 4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]piperidine-1-carbaldehyde (CID 134492831) is 4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]piperidine-1-carbaldehyde.

What is the SMILES notation for 4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]piperidine-1-carbaldehyde?

The canonical SMILES for 4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]piperidine-1-carbaldehyde is O=CN1CCC(OCCCCCOc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.

What is the InChIKey of 4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]piperidine-1-carbaldehyde?

The InChIKey is QCMKHSGJHILHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O7/c28-15-26-10-8-16(9-11-26)33-12-2-1-3-13-34-17-4-5-18-19(14-17)24(32)27(23(18)31)20-6-7-21(29)25-22(20)30/h4-5,14-16,20H,1-3,6-13H2,(H,25,29,30).

What are the key properties of 4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]piperidine-1-carbaldehyde?

4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]piperidine-1-carbaldehyde has a molecular weight of 471.51 g/mol, XLogP of 1.27, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]piperidine-1-carbaldehyde is sourced from PubChem (CID 134492831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).