2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[3-[4-[[3-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-oxoindol-1-yl]methyl]phenoxy]cyclobutyl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione

C51H51N5O10 — CID 146458504

About 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[3-[4-[[3-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-oxoindol-1-yl]methyl]phenoxy]cyclobutyl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[3-[4-[[3-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-oxoindol-1-yl]methyl]phenoxy]cyclobutyl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione (PubChem CID 146458504) has the molecular formula C51H51N5O10 and a molecular weight of 893.99 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[3-[4-[[3-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-oxoindol-1-yl]methyl]phenoxy]cyclobutyl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[3-[4-[[3-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-oxoindol-1-yl]methyl]phenoxy]cyclobutyl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione
• PubChem CID: 146458504
• Molecular Formula: C51H51N5O10
• Molecular Weight: 893.99 g/mol
• Exact Mass: 893.36
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[3-[4-[[3-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-oxoindol-1-yl]methyl]phenoxy]cyclobutyl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3ccc(OCCCCCN4CCC(OC5CC(Oc6ccc(CN7C(=O)C(=C/C=C/c8ccc([N+](=O)[O-])cc8)c8ccccc87)cc6)C5)CC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C51H51N5O10/c57-47-22-21-46(48(58)52-47)55-50(60)43-20-19-38(31-44(43)51(55)61)64-28-5-1-4-25-53-26-23-37(24-27-53)66-40-29-39(30-40)65-36-17-13-34(14-18-36)32-54-45-10-3-2-8-41(45)42(49(54)59)9-6-7-33-11-15-35(16-12-33)56(62)63/h2-3,6-20,31,37,39-40,46H,1,4-5,21-30,32H2,(H,52,57,58)/b7-6+,42-9?
• InChIKey: KBWIQVKMALSARX-IOHZLDCMSA-N
• XLogP: 7.28
• TPSA: 177.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 17
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	893.99
LogP ≤ 5	7.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[3-[4-[[3-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-oxoindol-1-yl]methyl]phenoxy]cyclobutyl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[3-[4-[[3-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-oxoindol-1-yl]methyl]phenoxy]cyclobutyl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione (CID 146458504) is 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[3-[4-[[3-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-oxoindol-1-yl]methyl]phenoxy]cyclobutyl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[3-[4-[[3-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-oxoindol-1-yl]methyl]phenoxy]cyclobutyl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[3-[4-[[3-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-oxoindol-1-yl]methyl]phenoxy]cyclobutyl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(OCCCCCN4CCC(OC5CC(Oc6ccc(CN7C(=O)C(=C/C=C/c8ccc([N+](=O)[O-])cc8)c8ccccc87)cc6)C5)CC4)cc3C2=O)C(=O)N1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[3-[4-[[3-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-oxoindol-1-yl]methyl]phenoxy]cyclobutyl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione?

The InChIKey is KBWIQVKMALSARX-IOHZLDCMSA-N. The full InChI is InChI=1S/C51H51N5O10/c57-47-22-21-46(48(58)52-47)55-50(60)43-20-19-38(31-44(43)51(55)61)64-28-5-1-4-25-53-26-23-37(24-27-53)66-40-29-39(30-40)65-36-17-13-34(14-18-36)32-54-45-10-3-2-8-41(45)42(49(54)59)9-6-7-33-11-15-35(16-12-33)56(62)63/h2-3,6-20,31,37,39-40,46H,1,4-5,21-30,32H2,(H,52,57,58)/b7-6+,42-9?.

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[3-[4-[[3-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-oxoindol-1-yl]methyl]phenoxy]cyclobutyl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[3-[4-[[3-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-oxoindol-1-yl]methyl]phenoxy]cyclobutyl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione has a molecular weight of 893.99 g/mol, XLogP of 7.28, 17 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[3-[4-[[3-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-oxoindol-1-yl]methyl]phenoxy]cyclobutyl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione is sourced from PubChem (CID 146458504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).