2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[4-[(2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]piperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione

C46H49N5O6 — CID 167379978

About 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[4-[(2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]piperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[4-[(2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]piperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione (PubChem CID 167379978) has the molecular formula C46H49N5O6 and a molecular weight of 767.93 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[4-[(2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]piperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[4-[(2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]piperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione
• PubChem CID: 167379978
• Molecular Formula: C46H49N5O6
• Molecular Weight: 767.93 g/mol
• Exact Mass: 767.37
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[4-[(2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]piperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3ccc(N4CCN(CCN5CCC(Oc6ccc(C7c8ccc(O)cc8CC[C@@H]7c7ccccc7)cc6)CC5)CC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C46H49N5O6/c52-34-10-15-38-32(28-34)8-13-37(30-4-2-1-3-5-30)43(38)31-6-11-35(12-7-31)57-36-18-20-48(21-19-36)22-23-49-24-26-50(27-25-49)33-9-14-39-40(29-33)46(56)51(45(39)55)41-16-17-42(53)47-44(41)54/h1-7,9-12,14-15,28-29,36-37,41,43,52H,8,13,16-27H2,(H,47,53,54)/t37-,41?,43?/m1/s1
• InChIKey: WWIWRKBFUYUZCF-PAYKLJALSA-N
• XLogP: 5.32
• TPSA: 122.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	767.93
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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-[4-[2-[4-[4-[(2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]piperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[4-[(2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]piperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione (CID 167379978) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[4-[(2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]piperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[4-[(2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]piperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[4-[(2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]piperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(N4CCN(CCN5CCC(Oc6ccc(C7c8ccc(O)cc8CC[C@@H]7c7ccccc7)cc6)CC5)CC4)cc3C2=O)C(=O)N1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[4-[(2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]piperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione?

The InChIKey is WWIWRKBFUYUZCF-PAYKLJALSA-N. The full InChI is InChI=1S/C46H49N5O6/c52-34-10-15-38-32(28-34)8-13-37(30-4-2-1-3-5-30)43(38)31-6-11-35(12-7-31)57-36-18-20-48(21-19-36)22-23-49-24-26-50(27-25-49)33-9-14-39-40(29-33)46(56)51(45(39)55)41-16-17-42(53)47-44(41)54/h1-7,9-12,14-15,28-29,36-37,41,43,52H,8,13,16-27H2,(H,47,53,54)/t37-,41?,43?/m1/s1.

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[4-[(2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]piperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[4-[(2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]piperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione has a molecular weight of 767.93 g/mol, XLogP of 5.32, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[4-[(2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]piperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 167379978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).