2-(2,6-dioxopiperidin-3-yl)-4-[2-(2-piperazin-1-ylethoxy)ethoxy]isoindole-1,3-dione;dihydrochloride

C21H28Cl2N4O6 — CID 155292496

About 2-(2,6-dioxopiperidin-3-yl)-4-[2-(2-piperazin-1-ylethoxy)ethoxy]isoindole-1,3-dione;dihydrochloride

2-(2,6-dioxopiperidin-3-yl)-4-[2-(2-piperazin-1-ylethoxy)ethoxy]isoindole-1,3-dione;dihydrochloride (PubChem CID 155292496) has the molecular formula C21H28Cl2N4O6 and a molecular weight of 503.38 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[2-(2-piperazin-1-ylethoxy)ethoxy]isoindole-1,3-dione;dihydrochloride.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-4-[2-(2-piperazin-1-ylethoxy)ethoxy]isoindole-1,3-dione;dihydrochloride
• PubChem CID: 155292496
• Molecular Formula: C21H28Cl2N4O6
• Molecular Weight: 503.38 g/mol
• Exact Mass: 502.14
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-[2-(2-piperazin-1-ylethoxy)ethoxy]isoindole-1,3-dione;dihydrochloride
• SMILES: Cl.Cl.O=C1CCC(N2C(=O)c3cccc(OCCOCCN4CCNCC4)c3C2=O)C(=O)N1
• InChI: InChI=1S/C21H26N4O6.2ClH/c26-17-5-4-15(19(27)23-17)25-20(28)14-2-1-3-16(18(14)21(25)29)31-13-12-30-11-10-24-8-6-22-7-9-24;;/h1-3,15,22H,4-13H2,(H,23,26,27);2*1H
• InChIKey: SELBVAWGQDCUDW-UHFFFAOYSA-N
• XLogP: 0.23
• TPSA: 117.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.38
LogP ≤ 5	0.23
H-Bond Donors ≤ 5	2
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 2-(2,6-dioxopiperidin-3-yl)-4-[2-(2-piperazin-1-ylethoxy)ethoxy]isoindole-1,3-dione;dihydrochloride?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[2-(2-piperazin-1-ylethoxy)ethoxy]isoindole-1,3-dione;dihydrochloride (CID 155292496) is 2-(2,6-dioxopiperidin-3-yl)-4-[2-(2-piperazin-1-ylethoxy)ethoxy]isoindole-1,3-dione;dihydrochloride.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[2-(2-piperazin-1-ylethoxy)ethoxy]isoindole-1,3-dione;dihydrochloride?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[2-(2-piperazin-1-ylethoxy)ethoxy]isoindole-1,3-dione;dihydrochloride is Cl.Cl.O=C1CCC(N2C(=O)c3cccc(OCCOCCN4CCNCC4)c3C2=O)C(=O)N1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[2-(2-piperazin-1-ylethoxy)ethoxy]isoindole-1,3-dione;dihydrochloride?

The InChIKey is SELBVAWGQDCUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O6.2ClH/c26-17-5-4-15(19(27)23-17)25-20(28)14-2-1-3-16(18(14)21(25)29)31-13-12-30-11-10-24-8-6-22-7-9-24;;/h1-3,15,22H,4-13H2,(H,23,26,27);2*1H.

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[2-(2-piperazin-1-ylethoxy)ethoxy]isoindole-1,3-dione;dihydrochloride?

2-(2,6-dioxopiperidin-3-yl)-4-[2-(2-piperazin-1-ylethoxy)ethoxy]isoindole-1,3-dione;dihydrochloride has a molecular weight of 503.38 g/mol, XLogP of 0.23, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-4-[2-(2-piperazin-1-ylethoxy)ethoxy]isoindole-1,3-dione;dihydrochloride is sourced from PubChem (CID 155292496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).