4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxopyrrolo[3,4-f]isoindol-6-yl]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide

C35H39N5O5 — CID 170396610

About 4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxopyrrolo[3,4-f]isoindol-6-yl]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide

4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxopyrrolo[3,4-f]isoindol-6-yl]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide (PubChem CID 170396610) has the molecular formula C35H39N5O5 and a molecular weight of 609.73 g/mol. Its IUPAC name is 4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxopyrrolo[3,4-f]isoindol-6-yl]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide.

Molecular Properties

• Compound Name: 4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxopyrrolo[3,4-f]isoindol-6-yl]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide
• PubChem CID: 170396610
• Molecular Formula: C35H39N5O5
• Molecular Weight: 609.73 g/mol
• Exact Mass: 609.30
• IUPAC Name: 4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxopyrrolo[3,4-f]isoindol-6-yl]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide
• SMILES: CC1(C)CC(C)(C)C1NC(=O)c1ccc(N2CCC(n3cc4cc5c(cc4c3)C(=O)N(C3CCC(=O)NC3=O)C5=O)CC2)cc1
• InChI: InChI=1S/C35H39N5O5/c1-34(2)19-35(3,4)33(34)37-29(42)20-5-7-23(8-6-20)38-13-11-24(12-14-38)39-17-21-15-25-26(16-22(21)18-39)32(45)40(31(25)44)27-9-10-28(41)36-30(27)43/h5-8,15-18,24,27,33H,9-14,19H2,1-4H3,(H,37,42)(H,36,41,43)
• InChIKey: HYDVLFWTDZGOTK-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 120.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	609.73
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxopyrrolo[3,4-f]isoindol-6-yl]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide?

The IUPAC name of 4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxopyrrolo[3,4-f]isoindol-6-yl]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide (CID 170396610) is 4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxopyrrolo[3,4-f]isoindol-6-yl]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide.

What is the SMILES notation for 4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxopyrrolo[3,4-f]isoindol-6-yl]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide?

The canonical SMILES for 4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxopyrrolo[3,4-f]isoindol-6-yl]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide is CC1(C)CC(C)(C)C1NC(=O)c1ccc(N2CCC(n3cc4cc5c(cc4c3)C(=O)N(C3CCC(=O)NC3=O)C5=O)CC2)cc1.

What is the InChIKey of 4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxopyrrolo[3,4-f]isoindol-6-yl]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide?

The InChIKey is HYDVLFWTDZGOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39N5O5/c1-34(2)19-35(3,4)33(34)37-29(42)20-5-7-23(8-6-20)38-13-11-24(12-14-38)39-17-21-15-25-26(16-22(21)18-39)32(45)40(31(25)44)27-9-10-28(41)36-30(27)43/h5-8,15-18,24,27,33H,9-14,19H2,1-4H3,(H,37,42)(H,36,41,43).

What are the key properties of 4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxopyrrolo[3,4-f]isoindol-6-yl]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide?

4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxopyrrolo[3,4-f]isoindol-6-yl]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide has a molecular weight of 609.73 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxopyrrolo[3,4-f]isoindol-6-yl]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide is sourced from PubChem (CID 170396610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).