2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione

C44H46N8O6 — CID 134481334

About 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione (PubChem CID 134481334) has the molecular formula C44H46N8O6 and a molecular weight of 782.90 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione
• PubChem CID: 134481334
• Molecular Formula: C44H46N8O6
• Molecular Weight: 782.90 g/mol
• Exact Mass: 782.35
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3ccc(N4CCN(CCN5CCC(OC6CC(Oc7ccc(-c8ccc9c(c8)[nH]c8ccncc89)cn7)C6)CC5)CC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C44H46N8O6/c53-40-7-6-39(42(54)48-40)52-43(55)34-5-3-29(22-35(34)44(52)56)51-19-17-50(18-20-51)16-15-49-13-10-30(11-14-49)57-31-23-32(24-31)58-41-8-2-28(25-46-41)27-1-4-33-36-26-45-12-9-37(36)47-38(33)21-27/h1-5,8-9,12,21-22,25-26,30-32,39,47H,6-7,10-11,13-20,23-24H2,(H,48,53,54)
• InChIKey: LPNPGKCVDZTDNL-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 153.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	782.90
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione (CID 134481334) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(N4CCN(CCN5CCC(OC6CC(Oc7ccc(-c8ccc9c(c8)[nH]c8ccncc89)cn7)C6)CC5)CC4)cc3C2=O)C(=O)N1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione?

The InChIKey is LPNPGKCVDZTDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H46N8O6/c53-40-7-6-39(42(54)48-40)52-43(55)34-5-3-29(22-35(34)44(52)56)51-19-17-50(18-20-51)16-15-49-13-10-30(11-14-49)57-31-23-32(24-31)58-41-8-2-28(25-46-41)27-1-4-33-36-26-45-12-9-37(36)47-38(33)21-27/h1-5,8-9,12,21-22,25-26,30-32,39,47H,6-7,10-11,13-20,23-24H2,(H,48,53,54).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione has a molecular weight of 782.90 g/mol, XLogP of 4.39, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 134481334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).