6-[4-[[4-[2-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-4-fluoropyridine-3-carboxamide

C44H48ClFN8O6 — CID 140860807

About 6-[4-[[4-[2-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-4-fluoropyridine-3-carboxamide

6-[4-[[4-[2-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-4-fluoropyridine-3-carboxamide (PubChem CID 140860807) has the molecular formula C44H48ClFN8O6 and a molecular weight of 839.37 g/mol. Its IUPAC name is 6-[4-[[4-[2-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-4-fluoropyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[[4-[2-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-4-fluoropyridine-3-carboxamide
• PubChem CID: 140860807
• Molecular Formula: C44H48ClFN8O6
• Molecular Weight: 839.37 g/mol
• Exact Mass: 838.34
• IUPAC Name: 6-[4-[[4-[2-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-4-fluoropyridine-3-carboxamide
• SMILES: CC1(C)C(Oc2ccc(C#N)c(Cl)c2)C(C)(C)C1N1C(=O)CCC(N2C(=O)c3ccc(N4CCN(CC5CCN(c6cc(F)c(C(N)=O)cn6)CC5)CC4)cc3C2=O)C1=O
• InChI: InChI=1S/C44H48ClFN8O6/c1-43(2)41(44(3,4)42(43)60-28-7-5-26(22-47)32(45)20-28)54-36(55)10-9-34(40(54)59)53-38(57)29-8-6-27(19-30(29)39(53)58)51-17-15-50(16-18-51)24-25-11-13-52(14-12-25)35-21-33(46)31(23-49-35)37(48)56/h5-8,19-21,23,25,34,41-42H,9-18,24H2,1-4H3,(H2,48,56)
• InChIKey: IEVIIVGFJCQLHS-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 173.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	839.37
LogP ≤ 5	4.88
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-[[4-[2-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-4-fluoropyridine-3-carboxamide?

The IUPAC name of 6-[4-[[4-[2-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-4-fluoropyridine-3-carboxamide (CID 140860807) is 6-[4-[[4-[2-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-4-fluoropyridine-3-carboxamide.

What is the SMILES notation for 6-[4-[[4-[2-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-4-fluoropyridine-3-carboxamide?

The canonical SMILES for 6-[4-[[4-[2-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-4-fluoropyridine-3-carboxamide is CC1(C)C(Oc2ccc(C#N)c(Cl)c2)C(C)(C)C1N1C(=O)CCC(N2C(=O)c3ccc(N4CCN(CC5CCN(c6cc(F)c(C(N)=O)cn6)CC5)CC4)cc3C2=O)C1=O.

What is the InChIKey of 6-[4-[[4-[2-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-4-fluoropyridine-3-carboxamide?

The InChIKey is IEVIIVGFJCQLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H48ClFN8O6/c1-43(2)41(44(3,4)42(43)60-28-7-5-26(22-47)32(45)20-28)54-36(55)10-9-34(40(54)59)53-38(57)29-8-6-27(19-30(29)39(53)58)51-17-15-50(16-18-51)24-25-11-13-52(14-12-25)35-21-33(46)31(23-49-35)37(48)56/h5-8,19-21,23,25,34,41-42H,9-18,24H2,1-4H3,(H2,48,56).

What are the key properties of 6-[4-[[4-[2-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-4-fluoropyridine-3-carboxamide?

6-[4-[[4-[2-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-4-fluoropyridine-3-carboxamide has a molecular weight of 839.37 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[[4-[2-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-4-fluoropyridine-3-carboxamide is sourced from PubChem (CID 140860807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).