4-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxopyrrolo[3,4-c]pyridin-6-yl]piperazin-1-yl]ethyl]piperidin-1-yl]benzamide

C30H35N7O5 — CID 155600116

About 4-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxopyrrolo[3,4-c]pyridin-6-yl]piperazin-1-yl]ethyl]piperidin-1-yl]benzamide

4-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxopyrrolo[3,4-c]pyridin-6-yl]piperazin-1-yl]ethyl]piperidin-1-yl]benzamide (PubChem CID 155600116) has the molecular formula C30H35N7O5 and a molecular weight of 573.65 g/mol. Its IUPAC name is 4-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxopyrrolo[3,4-c]pyridin-6-yl]piperazin-1-yl]ethyl]piperidin-1-yl]benzamide.

Molecular Properties

• Compound Name: 4-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxopyrrolo[3,4-c]pyridin-6-yl]piperazin-1-yl]ethyl]piperidin-1-yl]benzamide
• PubChem CID: 155600116
• Molecular Formula: C30H35N7O5
• Molecular Weight: 573.65 g/mol
• Exact Mass: 573.27
• IUPAC Name: 4-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxopyrrolo[3,4-c]pyridin-6-yl]piperazin-1-yl]ethyl]piperidin-1-yl]benzamide
• SMILES: NC(=O)c1ccc(N2CCC(CCN3CCN(c4cc5c(cn4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)cc1
• InChI: InChI=1S/C30H35N7O5/c31-27(39)20-1-3-21(4-2-20)35-11-8-19(9-12-35)7-10-34-13-15-36(16-14-34)25-17-22-23(18-32-25)30(42)37(29(22)41)24-5-6-26(38)33-28(24)40/h1-4,17-19,24H,5-16H2,(H2,31,39)(H,33,38,40)
• InChIKey: AQOUBSDOVRXIPR-UHFFFAOYSA-N
• XLogP: 1.01
• TPSA: 149.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.65
LogP ≤ 5	1.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxopyrrolo[3,4-c]pyridin-6-yl]piperazin-1-yl]ethyl]piperidin-1-yl]benzamide?

The IUPAC name of 4-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxopyrrolo[3,4-c]pyridin-6-yl]piperazin-1-yl]ethyl]piperidin-1-yl]benzamide (CID 155600116) is 4-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxopyrrolo[3,4-c]pyridin-6-yl]piperazin-1-yl]ethyl]piperidin-1-yl]benzamide.

What is the SMILES notation for 4-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxopyrrolo[3,4-c]pyridin-6-yl]piperazin-1-yl]ethyl]piperidin-1-yl]benzamide?

The canonical SMILES for 4-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxopyrrolo[3,4-c]pyridin-6-yl]piperazin-1-yl]ethyl]piperidin-1-yl]benzamide is NC(=O)c1ccc(N2CCC(CCN3CCN(c4cc5c(cn4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)cc1.

What is the InChIKey of 4-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxopyrrolo[3,4-c]pyridin-6-yl]piperazin-1-yl]ethyl]piperidin-1-yl]benzamide?

The InChIKey is AQOUBSDOVRXIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N7O5/c31-27(39)20-1-3-21(4-2-20)35-11-8-19(9-12-35)7-10-34-13-15-36(16-14-34)25-17-22-23(18-32-25)30(42)37(29(22)41)24-5-6-26(38)33-28(24)40/h1-4,17-19,24H,5-16H2,(H2,31,39)(H,33,38,40).

What are the key properties of 4-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxopyrrolo[3,4-c]pyridin-6-yl]piperazin-1-yl]ethyl]piperidin-1-yl]benzamide?

4-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxopyrrolo[3,4-c]pyridin-6-yl]piperazin-1-yl]ethyl]piperidin-1-yl]benzamide has a molecular weight of 573.65 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxopyrrolo[3,4-c]pyridin-6-yl]piperazin-1-yl]ethyl]piperidin-1-yl]benzamide is sourced from PubChem (CID 155600116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).