3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]propanamide

C32H30N8O5 — CID 175468208

About 3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]propanamide

3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]propanamide (PubChem CID 175468208) has the molecular formula C32H30N8O5 and a molecular weight of 606.64 g/mol. Its IUPAC name is 3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]propanamide.

Molecular Properties

• Compound Name: 3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]propanamide
• PubChem CID: 175468208
• Molecular Formula: C32H30N8O5
• Molecular Weight: 606.64 g/mol
• Exact Mass: 606.23
• IUPAC Name: 3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]propanamide
• SMILES: NC(=O)C(Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)N1CCCC(n2cc(-c3cnc4ccccc4n3)cn2)C1
• InChI: InChI=1S/C32H30N8O5/c33-29(42)27(13-18-7-8-21-22(12-18)32(45)40(31(21)44)26-9-10-28(41)37-30(26)43)38-11-3-4-20(17-38)39-16-19(14-35-39)25-15-34-23-5-1-2-6-24(23)36-25/h1-2,5-8,12,14-16,20,26-27H,3-4,9-11,13,17H2,(H2,33,42)(H,37,41,43)
• InChIKey: URCLWJCROGDSBX-UHFFFAOYSA-N
• XLogP: 1.63
• TPSA: 173.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	606.64
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]propanamide?

The IUPAC name of 3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]propanamide (CID 175468208) is 3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]propanamide.

What is the SMILES notation for 3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]propanamide?

The canonical SMILES for 3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]propanamide is NC(=O)C(Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)N1CCCC(n2cc(-c3cnc4ccccc4n3)cn2)C1.

What is the InChIKey of 3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]propanamide?

The InChIKey is URCLWJCROGDSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N8O5/c33-29(42)27(13-18-7-8-21-22(12-18)32(45)40(31(21)44)26-9-10-28(41)37-30(26)43)38-11-3-4-20(17-38)39-16-19(14-35-39)25-15-34-23-5-1-2-6-24(23)36-25/h1-2,5-8,12,14-16,20,26-27H,3-4,9-11,13,17H2,(H2,33,42)(H,37,41,43).

What are the key properties of 3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]propanamide?

3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]propanamide has a molecular weight of 606.64 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 175468208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).