2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[2-[[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]methyl]cyclopropyl]ethyl]piperazin-1-yl]isoindole-1,3-dione

C45H46N4O6 — CID 146566405

About 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[2-[[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]methyl]cyclopropyl]ethyl]piperazin-1-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[2-[[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]methyl]cyclopropyl]ethyl]piperazin-1-yl]isoindole-1,3-dione (PubChem CID 146566405) has the molecular formula C45H46N4O6 and a molecular weight of 738.89 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[2-[[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]methyl]cyclopropyl]ethyl]piperazin-1-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[2-[[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]methyl]cyclopropyl]ethyl]piperazin-1-yl]isoindole-1,3-dione
• PubChem CID: 146566405
• Molecular Formula: C45H46N4O6
• Molecular Weight: 738.89 g/mol
• Exact Mass: 738.34
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[2-[[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]methyl]cyclopropyl]ethyl]piperazin-1-yl]isoindole-1,3-dione
• SMILES: CC/C(=C(\c1ccc(O)cc1)c1ccc(OCC2CC2CCN2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)cc1)c1ccccc1
• InChI: InChI=1S/C45H46N4O6/c1-2-37(29-6-4-3-5-7-29)42(30-8-13-35(50)14-9-30)31-10-15-36(16-11-31)55-28-33-26-32(33)20-21-47-22-24-48(25-23-47)34-12-17-38-39(27-34)45(54)49(44(38)53)40-18-19-41(51)46-43(40)52/h3-17,27,32-33,40,50H,2,18-26,28H2,1H3,(H,46,51,52)/b42-37-
• InChIKey: FXPFADWSPLEQSG-POTMTVGHSA-N
• XLogP: 6.39
• TPSA: 119.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	738.89
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[2-[[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]methyl]cyclopropyl]ethyl]piperazin-1-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[2-[[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]methyl]cyclopropyl]ethyl]piperazin-1-yl]isoindole-1,3-dione (CID 146566405) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[2-[[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]methyl]cyclopropyl]ethyl]piperazin-1-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[2-[[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]methyl]cyclopropyl]ethyl]piperazin-1-yl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[2-[[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]methyl]cyclopropyl]ethyl]piperazin-1-yl]isoindole-1,3-dione is CC/C(=C(\c1ccc(O)cc1)c1ccc(OCC2CC2CCN2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)cc1)c1ccccc1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[2-[[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]methyl]cyclopropyl]ethyl]piperazin-1-yl]isoindole-1,3-dione?

The InChIKey is FXPFADWSPLEQSG-POTMTVGHSA-N. The full InChI is InChI=1S/C45H46N4O6/c1-2-37(29-6-4-3-5-7-29)42(30-8-13-35(50)14-9-30)31-10-15-36(16-11-31)55-28-33-26-32(33)20-21-47-22-24-48(25-23-47)34-12-17-38-39(27-34)45(54)49(44(38)53)40-18-19-41(51)46-43(40)52/h3-17,27,32-33,40,50H,2,18-26,28H2,1H3,(H,46,51,52)/b42-37-.

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[2-[[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]methyl]cyclopropyl]ethyl]piperazin-1-yl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[2-[[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]methyl]cyclopropyl]ethyl]piperazin-1-yl]isoindole-1,3-dione has a molecular weight of 738.89 g/mol, XLogP of 6.39, 12 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)-5-[4-[2-[2-[[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]methyl]cyclopropyl]ethyl]piperazin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 146566405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).