2-(2,6-dioxopiperidin-3-yl)-6-[2-[(3S)-3-[4-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]piperidin-1-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione

C44H41FN4O7 — CID 171720122

About 2-(2,6-dioxopiperidin-3-yl)-6-[2-[(3S)-3-[4-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]piperidin-1-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-6-[2-[(3S)-3-[4-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]piperidin-1-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (PubChem CID 171720122) has the molecular formula C44H41FN4O7 and a molecular weight of 756.83 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-6-[2-[(3S)-3-[4-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]piperidin-1-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-6-[2-[(3S)-3-[4-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]piperidin-1-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
• PubChem CID: 171720122
• Molecular Formula: C44H41FN4O7
• Molecular Weight: 756.83 g/mol
• Exact Mass: 756.30
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-6-[2-[(3S)-3-[4-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]piperidin-1-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CN(CC(=O)N2CCC[C@H](Oc3ccc([C@@H]5c6ccc(O)cc6CC[C@@H]5c5ccc(F)cc5)cc3)C2)C4)C(=O)N1
• InChI: InChI=1S/C44H41FN4O7/c45-30-8-3-25(4-9-30)34-13-7-27-18-31(50)10-14-35(27)41(34)26-5-11-32(12-6-26)56-33-2-1-17-48(23-33)40(52)24-47-21-28-19-36-37(20-29(28)22-47)44(55)49(43(36)54)38-15-16-39(51)46-42(38)53/h3-6,8-12,14,18-20,33-34,38,41,50H,1-2,7,13,15-17,21-24H2,(H,46,51,53)/t33-,34+,38?,41-/m0/s1
• InChIKey: ZMQTZLOFSGIVRL-ZZBNOICGSA-N
• XLogP: 5.18
• TPSA: 136.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.83
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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)-6-[2-[(3S)-3-[4-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]piperidin-1-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-6-[2-[(3S)-3-[4-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]piperidin-1-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (CID 171720122) is 2-(2,6-dioxopiperidin-3-yl)-6-[2-[(3S)-3-[4-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]piperidin-1-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-6-[2-[(3S)-3-[4-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]piperidin-1-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-6-[2-[(3S)-3-[4-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]piperidin-1-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CN(CC(=O)N2CCC[C@H](Oc3ccc([C@@H]5c6ccc(O)cc6CC[C@@H]5c5ccc(F)cc5)cc3)C2)C4)C(=O)N1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-6-[2-[(3S)-3-[4-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]piperidin-1-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The InChIKey is ZMQTZLOFSGIVRL-ZZBNOICGSA-N. The full InChI is InChI=1S/C44H41FN4O7/c45-30-8-3-25(4-9-30)34-13-7-27-18-31(50)10-14-35(27)41(34)26-5-11-32(12-6-26)56-33-2-1-17-48(23-33)40(52)24-47-21-28-19-36-37(20-29(28)22-47)44(55)49(43(36)54)38-15-16-39(51)46-42(38)53/h3-6,8-12,14,18-20,33-34,38,41,50H,1-2,7,13,15-17,21-24H2,(H,46,51,53)/t33-,34+,38?,41-/m0/s1.

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-6-[2-[(3S)-3-[4-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]piperidin-1-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-6-[2-[(3S)-3-[4-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]piperidin-1-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione has a molecular weight of 756.83 g/mol, XLogP of 5.18, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-6-[2-[(3S)-3-[4-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]piperidin-1-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is sourced from PubChem (CID 171720122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).