[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[2-[4-[[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-oxopropyl]phenyl]diazenyl]anilino]-2-oxoethoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate

C60H62N6O14 — CID 164990534

About [(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[2-[4-[[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-oxopropyl]phenyl]diazenyl]anilino]-2-oxoethoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate

[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[2-[4-[[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-oxopropyl]phenyl]diazenyl]anilino]-2-oxoethoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate (PubChem CID 164990534) has the molecular formula C60H62N6O14 and a molecular weight of 1091.18 g/mol. Its IUPAC name is [(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[2-[4-[[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-oxopropyl]phenyl]diazenyl]anilino]-2-oxoethoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate.

Molecular Properties

• Compound Name: [(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[2-[4-[[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-oxopropyl]phenyl]diazenyl]anilino]-2-oxoethoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
• PubChem CID: 164990534
• Molecular Formula: C60H62N6O14
• Molecular Weight: 1091.18 g/mol
• Exact Mass: 1090.43
• IUPAC Name: [(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[2-[4-[[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-oxopropyl]phenyl]diazenyl]anilino]-2-oxoethoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
• SMILES: CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)Nc2ccc(/N=N/c3ccc(CC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)cc2)c1
• InChI: InChI=1S/C60H62N6O14/c1-6-60(2,3)54(70)58(74)65-30-8-7-14-46(65)59(75)80-47(27-18-37-19-28-48(76-4)50(32-37)77-5)38-11-9-12-43(33-38)78-35-52(69)61-39-22-24-41(25-23-39)64-63-40-20-16-36(17-21-40)31-42(67)34-79-49-15-10-13-44-53(49)57(73)66(56(44)72)45-26-29-51(68)62-55(45)71/h9-13,15-17,19-25,28,32-33,45-47H,6-8,14,18,26-27,29-31,34-35H2,1-5H3,(H,61,69)(H,62,68,71)/b64-63+/t45?,46-,47+/m0/s1
• InChIKey: GUDSIECKUCCRQW-ZXCCFQNTSA-N
• XLogP: 8.33
• TPSA: 255.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 23
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1091.18
LogP ≤ 5	8.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[2-[4-[[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-oxopropyl]phenyl]diazenyl]anilino]-2-oxoethoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate?

The IUPAC name of [(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[2-[4-[[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-oxopropyl]phenyl]diazenyl]anilino]-2-oxoethoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate (CID 164990534) is [(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[2-[4-[[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-oxopropyl]phenyl]diazenyl]anilino]-2-oxoethoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate.

What is the SMILES notation for [(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[2-[4-[[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-oxopropyl]phenyl]diazenyl]anilino]-2-oxoethoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate?

The canonical SMILES for [(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[2-[4-[[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-oxopropyl]phenyl]diazenyl]anilino]-2-oxoethoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate is CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)Nc2ccc(/N=N/c3ccc(CC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)cc2)c1.

What is the InChIKey of [(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[2-[4-[[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-oxopropyl]phenyl]diazenyl]anilino]-2-oxoethoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate?

The InChIKey is GUDSIECKUCCRQW-ZXCCFQNTSA-N. The full InChI is InChI=1S/C60H62N6O14/c1-6-60(2,3)54(70)58(74)65-30-8-7-14-46(65)59(75)80-47(27-18-37-19-28-48(76-4)50(32-37)77-5)38-11-9-12-43(33-38)78-35-52(69)61-39-22-24-41(25-23-39)64-63-40-20-16-36(17-21-40)31-42(67)34-79-49-15-10-13-44-53(49)57(73)66(56(44)72)45-26-29-51(68)62-55(45)71/h9-13,15-17,19-25,28,32-33,45-47H,6-8,14,18,26-27,29-31,34-35H2,1-5H3,(H,61,69)(H,62,68,71)/b64-63+/t45?,46-,47+/m0/s1.

What are the key properties of [(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[2-[4-[[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-oxopropyl]phenyl]diazenyl]anilino]-2-oxoethoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate?

[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[2-[4-[[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-oxopropyl]phenyl]diazenyl]anilino]-2-oxoethoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate has a molecular weight of 1091.18 g/mol, XLogP of 8.33, 23 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[2-[4-[[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-oxopropyl]phenyl]diazenyl]anilino]-2-oxoethoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate is sourced from PubChem (CID 164990534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).