2-(2,6-dioxopiperidin-3-yl)-4-[[2-(methylamino)ethyl-(2,2,2-trifluoroethyl)amino]methyl]isoindole-1,3-dione

C19H21F3N4O4 — CID 167736761

About 2-(2,6-dioxopiperidin-3-yl)-4-[[2-(methylamino)ethyl-(2,2,2-trifluoroethyl)amino]methyl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[[2-(methylamino)ethyl-(2,2,2-trifluoroethyl)amino]methyl]isoindole-1,3-dione (PubChem CID 167736761) has the molecular formula C19H21F3N4O4 and a molecular weight of 426.40 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[[2-(methylamino)ethyl-(2,2,2-trifluoroethyl)amino]methyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-4-[[2-(methylamino)ethyl-(2,2,2-trifluoroethyl)amino]methyl]isoindole-1,3-dione
• PubChem CID: 167736761
• Molecular Formula: C19H21F3N4O4
• Molecular Weight: 426.40 g/mol
• Exact Mass: 426.15
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-[[2-(methylamino)ethyl-(2,2,2-trifluoroethyl)amino]methyl]isoindole-1,3-dione
• SMILES: CNCCN(Cc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC(F)(F)F
• InChI: InChI=1S/C19H21F3N4O4/c1-23-7-8-25(10-19(20,21)22)9-11-3-2-4-12-15(11)18(30)26(17(12)29)13-5-6-14(27)24-16(13)28/h2-4,13,23H,5-10H2,1H3,(H,24,27,28)
• InChIKey: LPJLVSWUWWLESD-UHFFFAOYSA-N
• XLogP: 0.67
• TPSA: 98.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.40
LogP ≤ 5	0.67
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)-4-[[2-(methylamino)ethyl-(2,2,2-trifluoroethyl)amino]methyl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[[2-(methylamino)ethyl-(2,2,2-trifluoroethyl)amino]methyl]isoindole-1,3-dione (CID 167736761) is 2-(2,6-dioxopiperidin-3-yl)-4-[[2-(methylamino)ethyl-(2,2,2-trifluoroethyl)amino]methyl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[[2-(methylamino)ethyl-(2,2,2-trifluoroethyl)amino]methyl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[[2-(methylamino)ethyl-(2,2,2-trifluoroethyl)amino]methyl]isoindole-1,3-dione is CNCCN(Cc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC(F)(F)F.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[[2-(methylamino)ethyl-(2,2,2-trifluoroethyl)amino]methyl]isoindole-1,3-dione?

The InChIKey is LPJLVSWUWWLESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O4/c1-23-7-8-25(10-19(20,21)22)9-11-3-2-4-12-15(11)18(30)26(17(12)29)13-5-6-14(27)24-16(13)28/h2-4,13,23H,5-10H2,1H3,(H,24,27,28).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[[2-(methylamino)ethyl-(2,2,2-trifluoroethyl)amino]methyl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-4-[[2-(methylamino)ethyl-(2,2,2-trifluoroethyl)amino]methyl]isoindole-1,3-dione has a molecular weight of 426.40 g/mol, XLogP of 0.67, 7 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)-4-[[2-(methylamino)ethyl-(2,2,2-trifluoroethyl)amino]methyl]isoindole-1,3-dione is sourced from PubChem (CID 167736761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).