[(1R)-3-(3,4-dimethylphenyl)-1-[3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopropoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylazanium;methane;2,2,2-trifluoroacetate

C70H79F3N8O17 — CID 161126733

About [(1R)-3-(3,4-dimethylphenyl)-1-[3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopropoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylazanium;methane;2,2,2-trifluoroacetate

[(1R)-3-(3,4-dimethylphenyl)-1-[3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopropoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylazanium;methane;2,2,2-trifluoroacetate (PubChem CID 161126733) has the molecular formula C70H79F3N8O17 and a molecular weight of 1361.43 g/mol. Its IUPAC name is [(1R)-3-(3,4-dimethylphenyl)-1-[3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopropoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylazanium;methane;2,2,2-trifluoroacetate.

Molecular Properties

• Compound Name: [(1R)-3-(3,4-dimethylphenyl)-1-[3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopropoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylazanium;methane;2,2,2-trifluoroacetate
• PubChem CID: 161126733
• Molecular Formula: C70H79F3N8O17
• Molecular Weight: 1361.43 g/mol
• Exact Mass: 1360.55
• IUPAC Name: [(1R)-3-(3,4-dimethylphenyl)-1-[3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopropoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylazanium;methane;2,2,2-trifluoroacetate
• SMILES: C.CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(C)c(C)c1)c1cccc(OCC(=O)CNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c1)c1cc(C)c(OC)c(OC)c1.O=C([O-])C(F)(F)F.[NH3+]CCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C52H58N4O11.C15H16N4O4.C2HF3O2.CH4/c1-7-38(35-25-32(4)47(65-6)44(27-35)64-5)49(60)55-23-9-8-16-42(55)52(63)67-43(21-19-33-18-17-30(2)31(3)24-33)34-12-10-13-37(26-34)66-29-36(57)28-53-40-15-11-14-39-46(40)51(62)56(50(39)61)41-20-22-45(58)54-48(41)59;16-6-7-17-9-3-1-2-8-12(9)15(23)19(14(8)22)10-4-5-11(20)18-13(10)21;3-2(4,5)1(6)7;/h10-15,17-18,24-27,38,41-43,53H,7-9,16,19-23,28-29H2,1-6H3,(H,54,58,59);1-3,10,17H,4-7,16H2,(H,18,20,21);(H,6,7);1H4/t38-,41?,42-,43+;;;/m0.../s1
• InChIKey: IVXREEJQOXKRIQ-LRHVAJBCSA-N
• XLogP: 5.56
• TPSA: 350.30 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 22
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1361.43
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1R)-3-(3,4-dimethylphenyl)-1-[3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopropoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylazanium;methane;2,2,2-trifluoroacetate?

The IUPAC name of [(1R)-3-(3,4-dimethylphenyl)-1-[3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopropoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylazanium;methane;2,2,2-trifluoroacetate (CID 161126733) is [(1R)-3-(3,4-dimethylphenyl)-1-[3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopropoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylazanium;methane;2,2,2-trifluoroacetate.

What is the SMILES notation for [(1R)-3-(3,4-dimethylphenyl)-1-[3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopropoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylazanium;methane;2,2,2-trifluoroacetate?

The canonical SMILES for [(1R)-3-(3,4-dimethylphenyl)-1-[3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopropoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylazanium;methane;2,2,2-trifluoroacetate is C.CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(C)c(C)c1)c1cccc(OCC(=O)CNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c1)c1cc(C)c(OC)c(OC)c1.O=C([O-])C(F)(F)F.[NH3+]CCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of [(1R)-3-(3,4-dimethylphenyl)-1-[3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopropoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylazanium;methane;2,2,2-trifluoroacetate?

The InChIKey is IVXREEJQOXKRIQ-LRHVAJBCSA-N. The full InChI is InChI=1S/C52H58N4O11.C15H16N4O4.C2HF3O2.CH4/c1-7-38(35-25-32(4)47(65-6)44(27-35)64-5)49(60)55-23-9-8-16-42(55)52(63)67-43(21-19-33-18-17-30(2)31(3)24-33)34-12-10-13-37(26-34)66-29-36(57)28-53-40-15-11-14-39-46(40)51(62)56(50(39)61)41-20-22-45(58)54-48(41)59;16-6-7-17-9-3-1-2-8-12(9)15(23)19(14(8)22)10-4-5-11(20)18-13(10)21;3-2(4,5)1(6)7;/h10-15,17-18,24-27,38,41-43,53H,7-9,16,19-23,28-29H2,1-6H3,(H,54,58,59);1-3,10,17H,4-7,16H2,(H,18,20,21);(H,6,7);1H4/t38-,41?,42-,43+;;;/m0.../s1.

What are the key properties of [(1R)-3-(3,4-dimethylphenyl)-1-[3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopropoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylazanium;methane;2,2,2-trifluoroacetate?

[(1R)-3-(3,4-dimethylphenyl)-1-[3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopropoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylazanium;methane;2,2,2-trifluoroacetate has a molecular weight of 1361.43 g/mol, XLogP of 5.56, 22 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-3-(3,4-dimethylphenyl)-1-[3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxopropoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylazanium;methane;2,2,2-trifluoroacetate is sourced from PubChem (CID 161126733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).