6-[4-[2-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridine-3-carboxamide

C46H51F3N8O6 — CID 140861027

About 6-[4-[2-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridine-3-carboxamide

6-[4-[2-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 140861027) has the molecular formula C46H51F3N8O6 and a molecular weight of 868.96 g/mol. Its IUPAC name is 6-[4-[2-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[2-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 140861027
• Molecular Formula: C46H51F3N8O6
• Molecular Weight: 868.96 g/mol
• Exact Mass: 868.39
• IUPAC Name: 6-[4-[2-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridine-3-carboxamide
• SMILES: CC1(C)C(Oc2ccc(C#N)c(C(F)(F)F)c2)C(C)(C)C1N1C(=O)CCC(N2C(=O)c3ccc(N4CCN(CCC5CCN(c6ccc(C(N)=O)cn6)CC5)CC4)cc3C2=O)C1=O
• InChI: InChI=1S/C46H51F3N8O6/c1-44(2)42(45(3,4)43(44)63-31-8-5-28(25-50)34(24-31)46(47,48)49)57-37(58)12-10-35(41(57)62)56-39(60)32-9-7-30(23-33(32)40(56)61)54-21-19-53(20-22-54)16-13-27-14-17-55(18-15-27)36-11-6-29(26-52-36)38(51)59/h5-9,11,23-24,26-27,35,42-43H,10,12-22H2,1-4H3,(H2,51,59)
• InChIKey: WUDGDIKKPAICBW-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 173.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	868.96
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridine-3-carboxamide?

The IUPAC name of 6-[4-[2-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridine-3-carboxamide (CID 140861027) is 6-[4-[2-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for 6-[4-[2-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for 6-[4-[2-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridine-3-carboxamide is CC1(C)C(Oc2ccc(C#N)c(C(F)(F)F)c2)C(C)(C)C1N1C(=O)CCC(N2C(=O)c3ccc(N4CCN(CCC5CCN(c6ccc(C(N)=O)cn6)CC5)CC4)cc3C2=O)C1=O.

What is the InChIKey of 6-[4-[2-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridine-3-carboxamide?

The InChIKey is WUDGDIKKPAICBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H51F3N8O6/c1-44(2)42(45(3,4)43(44)63-31-8-5-28(25-50)34(24-31)46(47,48)49)57-37(58)12-10-35(41(57)62)56-39(60)32-9-7-30(23-33(32)40(56)61)54-21-19-53(20-22-54)16-13-27-14-17-55(18-15-27)36-11-6-29(26-52-36)38(51)59/h5-9,11,23-24,26-27,35,42-43H,10,12-22H2,1-4H3,(H2,51,59).

What are the key properties of 6-[4-[2-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridine-3-carboxamide?

6-[4-[2-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 868.96 g/mol, XLogP of 5.50, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[2-[4-[2-[1-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 140861027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).