5-[3-[(1-deuteriopiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione

C24H28FN5O4 — CID 175880460

About 5-[3-[(1-deuteriopiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione

5-[3-[(1-deuteriopiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione (PubChem CID 175880460) has the molecular formula C24H28FN5O4 and a molecular weight of 470.52 g/mol. Its IUPAC name is 5-[3-[(1-deuteriopiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[3-[(1-deuteriopiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione
• PubChem CID: 175880460
• Molecular Formula: C24H28FN5O4
• Molecular Weight: 470.52 g/mol
• Exact Mass: 470.22
• IUPAC Name: 5-[3-[(1-deuteriopiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione
• SMILES: [2H]N1CCC(CN2CC3CC(C2)N3c2cc3c(cc2F)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
• InChI: InChI=1S/C24H28FN5O4/c25-18-8-16-17(24(34)30(23(16)33)19-1-2-21(31)27-22(19)32)9-20(18)29-14-7-15(29)12-28(11-14)10-13-3-5-26-6-4-13/h8-9,13-15,19,26H,1-7,10-12H2,(H,27,31,32)/i/hD
• InChIKey: YFXPLIFEQQFTMX-DYCDLGHISA-N
• XLogP: 0.49
• TPSA: 102.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.52
LogP ≤ 5	0.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(1-deuteriopiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione?

The IUPAC name of 5-[3-[(1-deuteriopiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione (CID 175880460) is 5-[3-[(1-deuteriopiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione.

What is the SMILES notation for 5-[3-[(1-deuteriopiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione?

The canonical SMILES for 5-[3-[(1-deuteriopiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione is [2H]N1CCC(CN2CC3CC(C2)N3c2cc3c(cc2F)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.

What is the InChIKey of 5-[3-[(1-deuteriopiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione?

The InChIKey is YFXPLIFEQQFTMX-DYCDLGHISA-N. The full InChI is InChI=1S/C24H28FN5O4/c25-18-8-16-17(24(34)30(23(16)33)19-1-2-21(31)27-22(19)32)9-20(18)29-14-7-15(29)12-28(11-14)10-13-3-5-26-6-4-13/h8-9,13-15,19,26H,1-7,10-12H2,(H,27,31,32)/i/hD.

What are the key properties of 5-[3-[(1-deuteriopiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione?

5-[3-[(1-deuteriopiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione has a molecular weight of 470.52 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[(1-deuteriopiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione is sourced from PubChem (CID 175880460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).