4-[3-[4-[2-[4-[3-[3-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-2-oxopropyl]piperazin-1-yl]ethoxy]-3-ethylphenyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile

C42H45F3N6O6 — CID 162189819

About 4-[3-[4-[2-[4-[3-[3-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-2-oxopropyl]piperazin-1-yl]ethoxy]-3-ethylphenyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile

4-[3-[4-[2-[4-[3-[3-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-2-oxopropyl]piperazin-1-yl]ethoxy]-3-ethylphenyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile (PubChem CID 162189819) has the molecular formula C42H45F3N6O6 and a molecular weight of 786.85 g/mol. Its IUPAC name is 4-[3-[4-[2-[4-[3-[3-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-2-oxopropyl]piperazin-1-yl]ethoxy]-3-ethylphenyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile.

Molecular Properties

• Compound Name: 4-[3-[4-[2-[4-[3-[3-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-2-oxopropyl]piperazin-1-yl]ethoxy]-3-ethylphenyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
• PubChem CID: 162189819
• Molecular Formula: C42H45F3N6O6
• Molecular Weight: 786.85 g/mol
• Exact Mass: 786.34
• IUPAC Name: 4-[3-[4-[2-[4-[3-[3-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-2-oxopropyl]piperazin-1-yl]ethoxy]-3-ethylphenyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
• SMILES: CCc1cc(N2C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)ccc1OCCN1CCN(CC(=O)Cc2cccc(CC3CCC(=O)NC3=O)c2)CC1
• InChI: InChI=1S/C42H45F3N6O6/c1-4-29-23-33(51-40(56)50(39(55)41(51,2)3)32-10-8-31(25-46)35(24-32)42(43,44)45)11-12-36(29)57-19-18-48-14-16-49(17-15-48)26-34(52)22-28-7-5-6-27(20-28)21-30-9-13-37(53)47-38(30)54/h5-8,10-12,20,23-24,30H,4,9,13-19,21-22,26H2,1-3H3,(H,47,53,54)
• InChIKey: ZQDMWRUCRJYCNG-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 143.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	786.85
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[2-[4-[3-[3-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-2-oxopropyl]piperazin-1-yl]ethoxy]-3-ethylphenyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile?

The IUPAC name of 4-[3-[4-[2-[4-[3-[3-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-2-oxopropyl]piperazin-1-yl]ethoxy]-3-ethylphenyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile (CID 162189819) is 4-[3-[4-[2-[4-[3-[3-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-2-oxopropyl]piperazin-1-yl]ethoxy]-3-ethylphenyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile.

What is the SMILES notation for 4-[3-[4-[2-[4-[3-[3-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-2-oxopropyl]piperazin-1-yl]ethoxy]-3-ethylphenyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile?

The canonical SMILES for 4-[3-[4-[2-[4-[3-[3-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-2-oxopropyl]piperazin-1-yl]ethoxy]-3-ethylphenyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile is CCc1cc(N2C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)ccc1OCCN1CCN(CC(=O)Cc2cccc(CC3CCC(=O)NC3=O)c2)CC1.

What is the InChIKey of 4-[3-[4-[2-[4-[3-[3-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-2-oxopropyl]piperazin-1-yl]ethoxy]-3-ethylphenyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile?

The InChIKey is ZQDMWRUCRJYCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H45F3N6O6/c1-4-29-23-33(51-40(56)50(39(55)41(51,2)3)32-10-8-31(25-46)35(24-32)42(43,44)45)11-12-36(29)57-19-18-48-14-16-49(17-15-48)26-34(52)22-28-7-5-6-27(20-28)21-30-9-13-37(53)47-38(30)54/h5-8,10-12,20,23-24,30H,4,9,13-19,21-22,26H2,1-3H3,(H,47,53,54).

What are the key properties of 4-[3-[4-[2-[4-[3-[3-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-2-oxopropyl]piperazin-1-yl]ethoxy]-3-ethylphenyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile?

4-[3-[4-[2-[4-[3-[3-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-2-oxopropyl]piperazin-1-yl]ethoxy]-3-ethylphenyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile has a molecular weight of 786.85 g/mol, XLogP of 5.29, 13 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[4-[2-[4-[3-[3-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-2-oxopropyl]piperazin-1-yl]ethoxy]-3-ethylphenyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 162189819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).