2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[3-[4-[1-(9-ethyl-3-isocyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)piperidin-4-yl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]isoindole-1,3-dione

C50H55N7O9 — CID 155620969

About 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[3-[4-[1-(9-ethyl-3-isocyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)piperidin-4-yl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[3-[4-[1-(9-ethyl-3-isocyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)piperidin-4-yl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]isoindole-1,3-dione (PubChem CID 155620969) has the molecular formula C50H55N7O9 and a molecular weight of 898.03 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[3-[4-[1-(9-ethyl-3-isocyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)piperidin-4-yl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[3-[4-[1-(9-ethyl-3-isocyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)piperidin-4-yl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]isoindole-1,3-dione
• PubChem CID: 155620969
• Molecular Formula: C50H55N7O9
• Molecular Weight: 898.03 g/mol
• Exact Mass: 897.41
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[3-[4-[1-(9-ethyl-3-isocyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)piperidin-4-yl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]isoindole-1,3-dione
• SMILES: [C-]#[N+]c1ccc2c3c([nH]c2c1)C(C)(C)c1cc(N2CCC(N4CCN(C(=O)CCOCCOCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC2)c(CC)cc1C3=O
• InChI: InChI=1S/C50H55N7O9/c1-5-30-27-35-36(50(2,3)46-44(45(35)60)33-10-9-31(51-4)28-37(33)52-46)29-39(30)55-16-13-32(14-17-55)54-18-20-56(21-19-54)42(59)15-22-64-23-24-65-25-26-66-40-8-6-7-34-43(40)49(63)57(48(34)62)38-11-12-41(58)53-47(38)61/h6-10,27-29,32,38,52H,5,11-26H2,1-3H3,(H,53,58,61)
• InChIKey: PZTKNLYWXDYVNE-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 175.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	898.03
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', '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-[3-[4-[1-(9-ethyl-3-isocyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)piperidin-4-yl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[3-[4-[1-(9-ethyl-3-isocyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)piperidin-4-yl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]isoindole-1,3-dione (CID 155620969) is 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[3-[4-[1-(9-ethyl-3-isocyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)piperidin-4-yl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[3-[4-[1-(9-ethyl-3-isocyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)piperidin-4-yl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[3-[4-[1-(9-ethyl-3-isocyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)piperidin-4-yl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]isoindole-1,3-dione is [C-]#[N+]c1ccc2c3c([nH]c2c1)C(C)(C)c1cc(N2CCC(N4CCN(C(=O)CCOCCOCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC2)c(CC)cc1C3=O.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[3-[4-[1-(9-ethyl-3-isocyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)piperidin-4-yl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]isoindole-1,3-dione?

The InChIKey is PZTKNLYWXDYVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H55N7O9/c1-5-30-27-35-36(50(2,3)46-44(45(35)60)33-10-9-31(51-4)28-37(33)52-46)29-39(30)55-16-13-32(14-17-55)54-18-20-56(21-19-54)42(59)15-22-64-23-24-65-25-26-66-40-8-6-7-34-43(40)49(63)57(48(34)62)38-11-12-41(58)53-47(38)61/h6-10,27-29,32,38,52H,5,11-26H2,1-3H3,(H,53,58,61).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[3-[4-[1-(9-ethyl-3-isocyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)piperidin-4-yl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[3-[4-[1-(9-ethyl-3-isocyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)piperidin-4-yl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]isoindole-1,3-dione has a molecular weight of 898.03 g/mol, XLogP of 5.17, 14 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)-4-[2-[2-[3-[4-[1-(9-ethyl-3-isocyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)piperidin-4-yl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]isoindole-1,3-dione is sourced from PubChem (CID 155620969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).