3-aminopiperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[4-[[6-hydroxy-2-(4-methylphenyl)-1-benzothiophen-3-yl]oxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;3-[2-[2-[2-[2-[2-[4-[[6-hydroxy-2-(4-methylphenyl)-1-benzothiophen-3-yl]oxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]phthalic acid

C88H94N6O24S2 — CID 167559191

About 3-aminopiperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[4-[[6-hydroxy-2-(4-methylphenyl)-1-benzothiophen-3-yl]oxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;3-[2-[2-[2-[2-[2-[4-[[6-hydroxy-2-(4-methylphenyl)-1-benzothiophen-3-yl]oxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]phthalic acid

3-aminopiperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[4-[[6-hydroxy-2-(4-methylphenyl)-1-benzothiophen-3-yl]oxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;3-[2-[2-[2-[2-[2-[4-[[6-hydroxy-2-(4-methylphenyl)-1-benzothiophen-3-yl]oxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]phthalic acid (PubChem CID 167559191) has the molecular formula C88H94N6O24S2 and a molecular weight of 1683.87 g/mol. Its IUPAC name is 3-aminopiperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[4-[[6-hydroxy-2-(4-methylphenyl)-1-benzothiophen-3-yl]oxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;3-[2-[2-[2-[2-[2-[4-[[6-hydroxy-2-(4-methylphenyl)-1-benzothiophen-3-yl]oxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]phthalic acid.

Molecular Properties

• Compound Name: 3-aminopiperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[4-[[6-hydroxy-2-(4-methylphenyl)-1-benzothiophen-3-yl]oxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;3-[2-[2-[2-[2-[2-[4-[[6-hydroxy-2-(4-methylphenyl)-1-benzothiophen-3-yl]oxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]phthalic acid
• PubChem CID: 167559191
• Molecular Formula: C88H94N6O24S2
• Molecular Weight: 1683.87 g/mol
• Exact Mass: 1682.58
• IUPAC Name: 3-aminopiperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[4-[[6-hydroxy-2-(4-methylphenyl)-1-benzothiophen-3-yl]oxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;3-[2-[2-[2-[2-[2-[4-[[6-hydroxy-2-(4-methylphenyl)-1-benzothiophen-3-yl]oxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]phthalic acid
• SMILES: Cc1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCCOCCOCCOCCOCCNc3cccc(C(=O)O)c3C(=O)O)cc2)cc1.Cc1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCCOCCOCCOCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2)cc1.NC1CCC(=O)NC1=O
• InChI: InChI=1S/C44H45N3O11S.C39H41NO11S.C5H8N2O2/c1-28-5-7-29(8-6-28)41-40(33-14-9-30(48)27-37(33)59-41)58-32-12-10-31(11-13-32)57-26-25-56-24-23-55-22-21-54-20-19-53-18-17-45-35-4-2-3-34-39(35)44(52)47(43(34)51)36-15-16-38(49)46-42(36)50;1-26-5-7-27(8-6-26)37-36(31-14-9-28(41)25-34(31)52-37)51-30-12-10-29(11-13-30)50-24-23-49-22-21-48-20-19-47-18-17-46-16-15-40-33-4-2-3-32(38(42)43)35(33)39(44)45;6-3-1-2-4(8)7-5(3)9/h2-14,27,36,45,48H,15-26H2,1H3,(H,46,49,50);2-14,25,40-41H,15-24H2,1H3,(H,42,43)(H,44,45);3H,1-2,6H2,(H,7,8,9)
• InChIKey: DKNHIJGLDIIKTP-UHFFFAOYSA-N
• XLogP: 12.41
• TPSA: 405.62 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 27
• Rotatable Bonds: 43
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1683.87
LogP ≤ 5	12.41
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-aminopiperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[4-[[6-hydroxy-2-(4-methylphenyl)-1-benzothiophen-3-yl]oxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;3-[2-[2-[2-[2-[2-[4-[[6-hydroxy-2-(4-methylphenyl)-1-benzothiophen-3-yl]oxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]phthalic acid?

The IUPAC name of 3-aminopiperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[4-[[6-hydroxy-2-(4-methylphenyl)-1-benzothiophen-3-yl]oxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;3-[2-[2-[2-[2-[2-[4-[[6-hydroxy-2-(4-methylphenyl)-1-benzothiophen-3-yl]oxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]phthalic acid (CID 167559191) is 3-aminopiperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[4-[[6-hydroxy-2-(4-methylphenyl)-1-benzothiophen-3-yl]oxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;3-[2-[2-[2-[2-[2-[4-[[6-hydroxy-2-(4-methylphenyl)-1-benzothiophen-3-yl]oxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]phthalic acid.

What is the SMILES notation for 3-aminopiperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[4-[[6-hydroxy-2-(4-methylphenyl)-1-benzothiophen-3-yl]oxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;3-[2-[2-[2-[2-[2-[4-[[6-hydroxy-2-(4-methylphenyl)-1-benzothiophen-3-yl]oxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]phthalic acid?

The canonical SMILES for 3-aminopiperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[4-[[6-hydroxy-2-(4-methylphenyl)-1-benzothiophen-3-yl]oxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;3-[2-[2-[2-[2-[2-[4-[[6-hydroxy-2-(4-methylphenyl)-1-benzothiophen-3-yl]oxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]phthalic acid is Cc1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCCOCCOCCOCCOCCNc3cccc(C(=O)O)c3C(=O)O)cc2)cc1.Cc1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCCOCCOCCOCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2)cc1.NC1CCC(=O)NC1=O.

What is the InChIKey of 3-aminopiperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[4-[[6-hydroxy-2-(4-methylphenyl)-1-benzothiophen-3-yl]oxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;3-[2-[2-[2-[2-[2-[4-[[6-hydroxy-2-(4-methylphenyl)-1-benzothiophen-3-yl]oxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]phthalic acid?

The InChIKey is DKNHIJGLDIIKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H45N3O11S.C39H41NO11S.C5H8N2O2/c1-28-5-7-29(8-6-28)41-40(33-14-9-30(48)27-37(33)59-41)58-32-12-10-31(11-13-32)57-26-25-56-24-23-55-22-21-54-20-19-53-18-17-45-35-4-2-3-34-39(35)44(52)47(43(34)51)36-15-16-38(49)46-42(36)50;1-26-5-7-27(8-6-26)37-36(31-14-9-28(41)25-34(31)52-37)51-30-12-10-29(11-13-30)50-24-23-49-22-21-48-20-19-47-18-17-46-16-15-40-33-4-2-3-32(38(42)43)35(33)39(44)45;6-3-1-2-4(8)7-5(3)9/h2-14,27,36,45,48H,15-26H2,1H3,(H,46,49,50);2-14,25,40-41H,15-24H2,1H3,(H,42,43)(H,44,45);3H,1-2,6H2,(H,7,8,9).

What are the key properties of 3-aminopiperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[4-[[6-hydroxy-2-(4-methylphenyl)-1-benzothiophen-3-yl]oxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;3-[2-[2-[2-[2-[2-[4-[[6-hydroxy-2-(4-methylphenyl)-1-benzothiophen-3-yl]oxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]phthalic acid?

3-aminopiperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[4-[[6-hydroxy-2-(4-methylphenyl)-1-benzothiophen-3-yl]oxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;3-[2-[2-[2-[2-[2-[4-[[6-hydroxy-2-(4-methylphenyl)-1-benzothiophen-3-yl]oxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]phthalic acid has a molecular weight of 1683.87 g/mol, XLogP of 12.41, 43 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-aminopiperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[4-[[6-hydroxy-2-(4-methylphenyl)-1-benzothiophen-3-yl]oxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;3-[2-[2-[2-[2-[2-[4-[[6-hydroxy-2-(4-methylphenyl)-1-benzothiophen-3-yl]oxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]phthalic acid is sourced from PubChem (CID 167559191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).