2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[3-(methylaminomethyl)piperidin-1-yl]isoindole-1,3-dione

C20H23FN4O4 — CID 171158257

About 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[3-(methylaminomethyl)piperidin-1-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[3-(methylaminomethyl)piperidin-1-yl]isoindole-1,3-dione (PubChem CID 171158257) has the molecular formula C20H23FN4O4 and a molecular weight of 402.43 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[3-(methylaminomethyl)piperidin-1-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[3-(methylaminomethyl)piperidin-1-yl]isoindole-1,3-dione
• PubChem CID: 171158257
• Molecular Formula: C20H23FN4O4
• Molecular Weight: 402.43 g/mol
• Exact Mass: 402.17
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[3-(methylaminomethyl)piperidin-1-yl]isoindole-1,3-dione
• SMILES: CNCC1CCCN(c2cc3c(cc2F)C(=O)N(C2CCC(=O)NC2=O)C3=O)C1
• InChI: InChI=1S/C20H23FN4O4/c1-22-9-11-3-2-6-24(10-11)16-8-13-12(7-14(16)21)19(28)25(20(13)29)15-4-5-17(26)23-18(15)27/h7-8,11,15,22H,2-6,9-10H2,1H3,(H,23,26,27)
• InChIKey: AQJVYQJEOCFBTQ-UHFFFAOYSA-N
• XLogP: 0.66
• TPSA: 98.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.43
LogP ≤ 5	0.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[3-(methylaminomethyl)piperidin-1-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[3-(methylaminomethyl)piperidin-1-yl]isoindole-1,3-dione (CID 171158257) is 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[3-(methylaminomethyl)piperidin-1-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[3-(methylaminomethyl)piperidin-1-yl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[3-(methylaminomethyl)piperidin-1-yl]isoindole-1,3-dione is CNCC1CCCN(c2cc3c(cc2F)C(=O)N(C2CCC(=O)NC2=O)C3=O)C1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[3-(methylaminomethyl)piperidin-1-yl]isoindole-1,3-dione?

The InChIKey is AQJVYQJEOCFBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O4/c1-22-9-11-3-2-6-24(10-11)16-8-13-12(7-14(16)21)19(28)25(20(13)29)15-4-5-17(26)23-18(15)27/h7-8,11,15,22H,2-6,9-10H2,1H3,(H,23,26,27).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[3-(methylaminomethyl)piperidin-1-yl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[3-(methylaminomethyl)piperidin-1-yl]isoindole-1,3-dione has a molecular weight of 402.43 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[3-(methylaminomethyl)piperidin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 171158257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).