2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[3-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;dihydrochloride

C40H50Cl2N6O9 — CID 134481489

About 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[3-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;dihydrochloride

2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[3-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;dihydrochloride (PubChem CID 134481489) has the molecular formula C40H50Cl2N6O9 and a molecular weight of 829.78 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[3-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;dihydrochloride.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[3-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;dihydrochloride
• PubChem CID: 134481489
• Molecular Formula: C40H50Cl2N6O9
• Molecular Weight: 829.78 g/mol
• Exact Mass: 828.30
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[3-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;dihydrochloride
• SMILES: Cl.Cl.Cn1c2ccncc2c2ccc(N3CCN(CCCOCCOCCOCCOCCOc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc21
• InChI: InChI=1S/C40H48N6O9.2ClH/c1-43-34-9-10-41-27-33(34)30-5-3-28(25-36(30)43)45-14-12-44(13-15-45)11-2-16-51-17-18-52-19-20-53-21-22-54-23-24-55-29-4-6-31-32(26-29)40(50)46(39(31)49)35-7-8-37(47)42-38(35)48;;/h3-6,9-10,25-27,35H,2,7-8,11-24H2,1H3,(H,42,47,48);2*1H
• InChIKey: NARSKJNSMCXYQZ-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 154.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 19
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	829.78
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

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)-5-[2-[2-[2-[2-[3-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;dihydrochloride?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[3-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;dihydrochloride (CID 134481489) is 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[3-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;dihydrochloride.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[3-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;dihydrochloride?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[3-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;dihydrochloride is Cl.Cl.Cn1c2ccncc2c2ccc(N3CCN(CCCOCCOCCOCCOCCOc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc21.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[3-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;dihydrochloride?

The InChIKey is NARSKJNSMCXYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H48N6O9.2ClH/c1-43-34-9-10-41-27-33(34)30-5-3-28(25-36(30)43)45-14-12-44(13-15-45)11-2-16-51-17-18-52-19-20-53-21-22-54-23-24-55-29-4-6-31-32(26-29)40(50)46(39(31)49)35-7-8-37(47)42-38(35)48;;/h3-6,9-10,25-27,35H,2,7-8,11-24H2,1H3,(H,42,47,48);2*1H.

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[3-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;dihydrochloride?

2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[3-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;dihydrochloride has a molecular weight of 829.78 g/mol, XLogP of 3.63, 19 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[3-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;dihydrochloride is sourced from PubChem (CID 134481489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).