4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide

C38H48N6O5 — CID 170049198

About 4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide

4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide (PubChem CID 170049198) has the molecular formula C38H48N6O5 and a molecular weight of 668.84 g/mol. Its IUPAC name is 4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide.

Molecular Properties

• Compound Name: 4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide
• PubChem CID: 170049198
• Molecular Formula: C38H48N6O5
• Molecular Weight: 668.84 g/mol
• Exact Mass: 668.37
• IUPAC Name: 4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide
• SMILES: CC1(C)CC(C)(C)C1NC(=O)c1ccc(N2CCN(CC3CCN(c4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)cc1
• InChI: InChI=1S/C38H48N6O5/c1-37(2)23-38(3,4)36(37)40-32(46)25-8-10-26(11-9-25)42-20-18-41(19-21-42)22-24-14-16-43(17-15-24)28-7-5-6-27-31(28)35(49)44(34(27)48)29-12-13-30(45)39-33(29)47/h5-11,24,29,36H,12-23H2,1-4H3,(H,40,46)(H,39,45,47)
• InChIKey: MHSXHGWSWRTNTQ-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 122.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	668.84
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide (CID 170049198) is 4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide.

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

The canonical SMILES for 4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide is CC1(C)CC(C)(C)C1NC(=O)c1ccc(N2CCN(CC3CCN(c4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)cc1.

What is the InChIKey of 4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide?

The InChIKey is MHSXHGWSWRTNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H48N6O5/c1-37(2)23-38(3,4)36(37)40-32(46)25-8-10-26(11-9-25)42-20-18-41(19-21-42)22-24-14-16-43(17-15-24)28-7-5-6-27-31(28)35(49)44(34(27)48)29-12-13-30(45)39-33(29)47/h5-11,24,29,36H,12-23H2,1-4H3,(H,40,46)(H,39,45,47).

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

4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide has a molecular weight of 668.84 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide is sourced from PubChem (CID 170049198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).