3-[[5-[3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propoxy]ethoxy]propyl]-1-oxo-4H-naphthalen-2-yl]methyl]piperidine-2,6-dione

C37H41N3O8 — CID 176669691

About 3-[[5-[3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propoxy]ethoxy]propyl]-1-oxo-4H-naphthalen-2-yl]methyl]piperidine-2,6-dione

3-[[5-[3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propoxy]ethoxy]propyl]-1-oxo-4H-naphthalen-2-yl]methyl]piperidine-2,6-dione (PubChem CID 176669691) has the molecular formula C37H41N3O8 and a molecular weight of 655.75 g/mol. Its IUPAC name is 3-[[5-[3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propoxy]ethoxy]propyl]-1-oxo-4H-naphthalen-2-yl]methyl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[[5-[3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propoxy]ethoxy]propyl]-1-oxo-4H-naphthalen-2-yl]methyl]piperidine-2,6-dione
• PubChem CID: 176669691
• Molecular Formula: C37H41N3O8
• Molecular Weight: 655.75 g/mol
• Exact Mass: 655.29
• IUPAC Name: 3-[[5-[3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propoxy]ethoxy]propyl]-1-oxo-4H-naphthalen-2-yl]methyl]piperidine-2,6-dione
• SMILES: O=C1CCC(CC2=CCc3c(CCCOCCOCCCc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)cccc3C2=O)C(=O)N1
• InChI: InChI=1S/C37H41N3O8/c41-32-15-12-26(35(44)38-32)21-25-11-13-27-23(5-1-9-28(27)34(25)43)7-3-17-47-19-20-48-18-4-8-24-6-2-10-29-30(24)22-40(37(29)46)31-14-16-33(42)39-36(31)45/h1-2,5-6,9-11,26,31H,3-4,7-8,12-22H2,(H,38,41,44)(H,39,42,45)
• InChIKey: QHUATERWIQVECX-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 148.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	655.75
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propoxy]ethoxy]propyl]-1-oxo-4H-naphthalen-2-yl]methyl]piperidine-2,6-dione?

The IUPAC name of 3-[[5-[3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propoxy]ethoxy]propyl]-1-oxo-4H-naphthalen-2-yl]methyl]piperidine-2,6-dione (CID 176669691) is 3-[[5-[3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propoxy]ethoxy]propyl]-1-oxo-4H-naphthalen-2-yl]methyl]piperidine-2,6-dione.

What is the SMILES notation for 3-[[5-[3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propoxy]ethoxy]propyl]-1-oxo-4H-naphthalen-2-yl]methyl]piperidine-2,6-dione?

The canonical SMILES for 3-[[5-[3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propoxy]ethoxy]propyl]-1-oxo-4H-naphthalen-2-yl]methyl]piperidine-2,6-dione is O=C1CCC(CC2=CCc3c(CCCOCCOCCCc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)cccc3C2=O)C(=O)N1.

What is the InChIKey of 3-[[5-[3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propoxy]ethoxy]propyl]-1-oxo-4H-naphthalen-2-yl]methyl]piperidine-2,6-dione?

The InChIKey is QHUATERWIQVECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41N3O8/c41-32-15-12-26(35(44)38-32)21-25-11-13-27-23(5-1-9-28(27)34(25)43)7-3-17-47-19-20-48-18-4-8-24-6-2-10-29-30(24)22-40(37(29)46)31-14-16-33(42)39-36(31)45/h1-2,5-6,9-11,26,31H,3-4,7-8,12-22H2,(H,38,41,44)(H,39,42,45).

What are the key properties of 3-[[5-[3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propoxy]ethoxy]propyl]-1-oxo-4H-naphthalen-2-yl]methyl]piperidine-2,6-dione?

3-[[5-[3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propoxy]ethoxy]propyl]-1-oxo-4H-naphthalen-2-yl]methyl]piperidine-2,6-dione has a molecular weight of 655.75 g/mol, XLogP of 3.15, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-[3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propoxy]ethoxy]propyl]-1-oxo-4H-naphthalen-2-yl]methyl]piperidine-2,6-dione is sourced from PubChem (CID 176669691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).