2-(2,6-dioxopiperidin-3-yl)-4-[3-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl)propoxy]propylamino]isoindole-1,3-dione

C26H34N4O5 — CID 176664105

About 2-(2,6-dioxopiperidin-3-yl)-4-[3-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl)propoxy]propylamino]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[3-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl)propoxy]propylamino]isoindole-1,3-dione (PubChem CID 176664105) has the molecular formula C26H34N4O5 and a molecular weight of 482.58 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[3-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl)propoxy]propylamino]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-4-[3-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl)propoxy]propylamino]isoindole-1,3-dione
• PubChem CID: 176664105
• Molecular Formula: C26H34N4O5
• Molecular Weight: 482.58 g/mol
• Exact Mass: 482.25
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-[3-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl)propoxy]propylamino]isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3cccc(NCCCOCCCC4CC5CCCN5C4)c3C2=O)C(=O)N1
• InChI: InChI=1S/C26H34N4O5/c31-22-10-9-21(24(32)28-22)30-25(33)19-7-1-8-20(23(19)26(30)34)27-11-4-14-35-13-3-5-17-15-18-6-2-12-29(18)16-17/h1,7-8,17-18,21,27H,2-6,9-16H2,(H,28,31,32)
• InChIKey: YNCFJGHHGCSGKS-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 108.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.58
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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 2-(2,6-dioxopiperidin-3-yl)-4-[3-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl)propoxy]propylamino]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[3-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl)propoxy]propylamino]isoindole-1,3-dione (CID 176664105) is 2-(2,6-dioxopiperidin-3-yl)-4-[3-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl)propoxy]propylamino]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[3-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl)propoxy]propylamino]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[3-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl)propoxy]propylamino]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cccc(NCCCOCCCC4CC5CCCN5C4)c3C2=O)C(=O)N1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[3-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl)propoxy]propylamino]isoindole-1,3-dione?

The InChIKey is YNCFJGHHGCSGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O5/c31-22-10-9-21(24(32)28-22)30-25(33)19-7-1-8-20(23(19)26(30)34)27-11-4-14-35-13-3-5-17-15-18-6-2-12-29(18)16-17/h1,7-8,17-18,21,27H,2-6,9-16H2,(H,28,31,32).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[3-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl)propoxy]propylamino]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-4-[3-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl)propoxy]propylamino]isoindole-1,3-dione has a molecular weight of 482.58 g/mol, XLogP of 2.17, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-4-[3-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl)propoxy]propylamino]isoindole-1,3-dione is sourced from PubChem (CID 176664105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).