N-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]benzamide

C43H45F3N6O6 — CID 140861012

About N-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]benzamide

N-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]benzamide (PubChem CID 140861012) has the molecular formula C43H45F3N6O6 and a molecular weight of 798.86 g/mol. Its IUPAC name is N-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]benzamide.

Molecular Properties

• Compound Name: N-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]benzamide
• PubChem CID: 140861012
• Molecular Formula: C43H45F3N6O6
• Molecular Weight: 798.86 g/mol
• Exact Mass: 798.34
• IUPAC Name: N-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]benzamide
• SMILES: CC1(C)C(NC(=O)c2ccc(CCCN3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2)C(C)(C)C1Oc1ccc(C#N)c(C(F)(F)F)c1
• InChI: InChI=1S/C43H45F3N6O6/c1-41(2)39(42(3,4)40(41)58-29-13-11-27(24-47)32(23-29)43(44,45)46)49-35(54)26-9-7-25(8-10-26)6-5-17-50-18-20-51(21-19-50)28-12-14-30-31(22-28)38(57)52(37(30)56)33-15-16-34(53)48-36(33)55/h7-14,22-23,33,39-40H,5-6,15-21H2,1-4H3,(H,49,54)(H,48,53,55)
• InChIKey: NSYXJTFALSMXIU-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 152.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	798.86
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]benzamide?

The IUPAC name of N-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]benzamide (CID 140861012) is N-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]benzamide.

What is the SMILES notation for N-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]benzamide?

The canonical SMILES for N-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]benzamide is CC1(C)C(NC(=O)c2ccc(CCCN3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2)C(C)(C)C1Oc1ccc(C#N)c(C(F)(F)F)c1.

What is the InChIKey of N-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]benzamide?

The InChIKey is NSYXJTFALSMXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H45F3N6O6/c1-41(2)39(42(3,4)40(41)58-29-13-11-27(24-47)32(23-29)43(44,45)46)49-35(54)26-9-7-25(8-10-26)6-5-17-50-18-20-51(21-19-50)28-12-14-30-31(22-28)38(57)52(37(30)56)33-15-16-34(53)48-36(33)55/h7-14,22-23,33,39-40H,5-6,15-21H2,1-4H3,(H,49,54)(H,48,53,55).

What are the key properties of N-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]benzamide?

N-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]benzamide has a molecular weight of 798.86 g/mol, XLogP of 5.35, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]benzamide is sourced from PubChem (CID 140861012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).