2-(2,6-dioxopiperidin-3-yl)-5-[4-[1-[3-[4-[(3-oxo-1,2-dihydroisoindol-4-yl)amino]butoxy]propyl]piperidin-4-yl]piperazin-1-yl]isoindole-1,3-dione;2-[[5-fluoro-2-(oxan-2-yloxy)phenyl]methyl]-1,3-thiazole;formamide

C53H66FN9O9S — CID 142390071

About 2-(2,6-dioxopiperidin-3-yl)-5-[4-[1-[3-[4-[(3-oxo-1,2-dihydroisoindol-4-yl)amino]butoxy]propyl]piperidin-4-yl]piperazin-1-yl]isoindole-1,3-dione;2-[[5-fluoro-2-(oxan-2-yloxy)phenyl]methyl]-1,3-thiazole;formamide

2-(2,6-dioxopiperidin-3-yl)-5-[4-[1-[3-[4-[(3-oxo-1,2-dihydroisoindol-4-yl)amino]butoxy]propyl]piperidin-4-yl]piperazin-1-yl]isoindole-1,3-dione;2-[[5-fluoro-2-(oxan-2-yloxy)phenyl]methyl]-1,3-thiazole;formamide (PubChem CID 142390071) has the molecular formula C53H66FN9O9S and a molecular weight of 1024.23 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[1-[3-[4-[(3-oxo-1,2-dihydroisoindol-4-yl)amino]butoxy]propyl]piperidin-4-yl]piperazin-1-yl]isoindole-1,3-dione;2-[[5-fluoro-2-(oxan-2-yloxy)phenyl]methyl]-1,3-thiazole;formamide.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[1-[3-[4-[(3-oxo-1,2-dihydroisoindol-4-yl)amino]butoxy]propyl]piperidin-4-yl]piperazin-1-yl]isoindole-1,3-dione;2-[[5-fluoro-2-(oxan-2-yloxy)phenyl]methyl]-1,3-thiazole;formamide
• PubChem CID: 142390071
• Molecular Formula: C53H66FN9O9S
• Molecular Weight: 1024.23 g/mol
• Exact Mass: 1023.47
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[1-[3-[4-[(3-oxo-1,2-dihydroisoindol-4-yl)amino]butoxy]propyl]piperidin-4-yl]piperazin-1-yl]isoindole-1,3-dione;2-[[5-fluoro-2-(oxan-2-yloxy)phenyl]methyl]-1,3-thiazole;formamide
• SMILES: Fc1ccc(OC2CCCCO2)c(Cc2nccs2)c1.NC=O.O=C1CCC(N2C(=O)c3ccc(N4CCN(C5CCN(CCCOCCCCNc6cccc7c6C(=O)NC7)CC5)CC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C37H47N7O6.C15H16FNO2S.CH3NO/c45-32-10-9-31(34(46)40-32)44-36(48)28-8-7-27(23-29(28)37(44)49)43-19-17-42(18-20-43)26-11-15-41(16-12-26)14-4-22-50-21-2-1-13-38-30-6-3-5-25-24-39-35(47)33(25)30;16-12-4-5-13(19-15-3-1-2-7-18-15)11(9-12)10-14-17-6-8-20-14;2-1-3/h3,5-8,23,26,31,38H,1-2,4,9-22,24H2,(H,39,47)(H,40,45,46);4-6,8-9,15H,1-3,7,10H2;1H,(H2,2,3)
• InChIKey: VXFUDUZHMDGOJK-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 218.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1024.23
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-[4-[1-[3-[4-[(3-oxo-1,2-dihydroisoindol-4-yl)amino]butoxy]propyl]piperidin-4-yl]piperazin-1-yl]isoindole-1,3-dione;2-[[5-fluoro-2-(oxan-2-yloxy)phenyl]methyl]-1,3-thiazole;formamide?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[1-[3-[4-[(3-oxo-1,2-dihydroisoindol-4-yl)amino]butoxy]propyl]piperidin-4-yl]piperazin-1-yl]isoindole-1,3-dione;2-[[5-fluoro-2-(oxan-2-yloxy)phenyl]methyl]-1,3-thiazole;formamide (CID 142390071) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[1-[3-[4-[(3-oxo-1,2-dihydroisoindol-4-yl)amino]butoxy]propyl]piperidin-4-yl]piperazin-1-yl]isoindole-1,3-dione;2-[[5-fluoro-2-(oxan-2-yloxy)phenyl]methyl]-1,3-thiazole;formamide.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[1-[3-[4-[(3-oxo-1,2-dihydroisoindol-4-yl)amino]butoxy]propyl]piperidin-4-yl]piperazin-1-yl]isoindole-1,3-dione;2-[[5-fluoro-2-(oxan-2-yloxy)phenyl]methyl]-1,3-thiazole;formamide?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[1-[3-[4-[(3-oxo-1,2-dihydroisoindol-4-yl)amino]butoxy]propyl]piperidin-4-yl]piperazin-1-yl]isoindole-1,3-dione;2-[[5-fluoro-2-(oxan-2-yloxy)phenyl]methyl]-1,3-thiazole;formamide is Fc1ccc(OC2CCCCO2)c(Cc2nccs2)c1.NC=O.O=C1CCC(N2C(=O)c3ccc(N4CCN(C5CCN(CCCOCCCCNc6cccc7c6C(=O)NC7)CC5)CC4)cc3C2=O)C(=O)N1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[1-[3-[4-[(3-oxo-1,2-dihydroisoindol-4-yl)amino]butoxy]propyl]piperidin-4-yl]piperazin-1-yl]isoindole-1,3-dione;2-[[5-fluoro-2-(oxan-2-yloxy)phenyl]methyl]-1,3-thiazole;formamide?

The InChIKey is VXFUDUZHMDGOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H47N7O6.C15H16FNO2S.CH3NO/c45-32-10-9-31(34(46)40-32)44-36(48)28-8-7-27(23-29(28)37(44)49)43-19-17-42(18-20-43)26-11-15-41(16-12-26)14-4-22-50-21-2-1-13-38-30-6-3-5-25-24-39-35(47)33(25)30;16-12-4-5-13(19-15-3-1-2-7-18-15)11(9-12)10-14-17-6-8-20-14;2-1-3/h3,5-8,23,26,31,38H,1-2,4,9-22,24H2,(H,39,47)(H,40,45,46);4-6,8-9,15H,1-3,7,10H2;1H,(H2,2,3).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[1-[3-[4-[(3-oxo-1,2-dihydroisoindol-4-yl)amino]butoxy]propyl]piperidin-4-yl]piperazin-1-yl]isoindole-1,3-dione;2-[[5-fluoro-2-(oxan-2-yloxy)phenyl]methyl]-1,3-thiazole;formamide?

2-(2,6-dioxopiperidin-3-yl)-5-[4-[1-[3-[4-[(3-oxo-1,2-dihydroisoindol-4-yl)amino]butoxy]propyl]piperidin-4-yl]piperazin-1-yl]isoindole-1,3-dione;2-[[5-fluoro-2-(oxan-2-yloxy)phenyl]methyl]-1,3-thiazole;formamide has a molecular weight of 1024.23 g/mol, XLogP of 5.10, 17 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[1-[3-[4-[(3-oxo-1,2-dihydroisoindol-4-yl)amino]butoxy]propyl]piperidin-4-yl]piperazin-1-yl]isoindole-1,3-dione;2-[[5-fluoro-2-(oxan-2-yloxy)phenyl]methyl]-1,3-thiazole;formamide is sourced from PubChem (CID 142390071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).