2-(2,6-dioxopiperidin-3-yl)-4-[4-[2-[1-[(1R,2R)-2-fluoro-1-hydroxy-7-methylsulfonyl-2,3-dihydro-1H-inden-4-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione

C34H40FN5O7S — CID 175480948

About 2-(2,6-dioxopiperidin-3-yl)-4-[4-[2-[1-[(1R,2R)-2-fluoro-1-hydroxy-7-methylsulfonyl-2,3-dihydro-1H-inden-4-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[4-[2-[1-[(1R,2R)-2-fluoro-1-hydroxy-7-methylsulfonyl-2,3-dihydro-1H-inden-4-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione (PubChem CID 175480948) has the molecular formula C34H40FN5O7S and a molecular weight of 681.79 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[4-[2-[1-[(1R,2R)-2-fluoro-1-hydroxy-7-methylsulfonyl-2,3-dihydro-1H-inden-4-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-4-[4-[2-[1-[(1R,2R)-2-fluoro-1-hydroxy-7-methylsulfonyl-2,3-dihydro-1H-inden-4-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione
• PubChem CID: 175480948
• Molecular Formula: C34H40FN5O7S
• Molecular Weight: 681.79 g/mol
• Exact Mass: 681.26
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-[4-[2-[1-[(1R,2R)-2-fluoro-1-hydroxy-7-methylsulfonyl-2,3-dihydro-1H-inden-4-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione
• SMILES: CS(=O)(=O)c1ccc(N2CCC(CCN3CCN(c4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)c2c1[C@@H](O)[C@H](F)C2
• InChI: InChI=1S/C34H40FN5O7S/c1-48(46,47)27-7-5-24(22-19-23(35)31(42)30(22)27)38-13-10-20(11-14-38)9-12-37-15-17-39(18-16-37)25-4-2-3-21-29(25)34(45)40(33(21)44)26-6-8-28(41)36-32(26)43/h2-5,7,20,23,26,31,42H,6,8-19H2,1H3,(H,36,41,43)/t23-,26?,31+/m1/s1
• InChIKey: WVGIDNKXDIWTFP-QVEZPXLQSA-N
• XLogP: 1.85
• TPSA: 147.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	681.79
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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-[4-[2-[1-[(1R,2R)-2-fluoro-1-hydroxy-7-methylsulfonyl-2,3-dihydro-1H-inden-4-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[4-[2-[1-[(1R,2R)-2-fluoro-1-hydroxy-7-methylsulfonyl-2,3-dihydro-1H-inden-4-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione (CID 175480948) is 2-(2,6-dioxopiperidin-3-yl)-4-[4-[2-[1-[(1R,2R)-2-fluoro-1-hydroxy-7-methylsulfonyl-2,3-dihydro-1H-inden-4-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[4-[2-[1-[(1R,2R)-2-fluoro-1-hydroxy-7-methylsulfonyl-2,3-dihydro-1H-inden-4-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[4-[2-[1-[(1R,2R)-2-fluoro-1-hydroxy-7-methylsulfonyl-2,3-dihydro-1H-inden-4-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione is CS(=O)(=O)c1ccc(N2CCC(CCN3CCN(c4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)c2c1[C@@H](O)[C@H](F)C2.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[4-[2-[1-[(1R,2R)-2-fluoro-1-hydroxy-7-methylsulfonyl-2,3-dihydro-1H-inden-4-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione?

The InChIKey is WVGIDNKXDIWTFP-QVEZPXLQSA-N. The full InChI is InChI=1S/C34H40FN5O7S/c1-48(46,47)27-7-5-24(22-19-23(35)31(42)30(22)27)38-13-10-20(11-14-38)9-12-37-15-17-39(18-16-37)25-4-2-3-21-29(25)34(45)40(33(21)44)26-6-8-28(41)36-32(26)43/h2-5,7,20,23,26,31,42H,6,8-19H2,1H3,(H,36,41,43)/t23-,26?,31+/m1/s1.

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[4-[2-[1-[(1R,2R)-2-fluoro-1-hydroxy-7-methylsulfonyl-2,3-dihydro-1H-inden-4-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-4-[4-[2-[1-[(1R,2R)-2-fluoro-1-hydroxy-7-methylsulfonyl-2,3-dihydro-1H-inden-4-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione has a molecular weight of 681.79 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-4-[4-[2-[1-[(1R,2R)-2-fluoro-1-hydroxy-7-methylsulfonyl-2,3-dihydro-1H-inden-4-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 175480948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).