[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]-2-piperidin-4-yloxyphenyl] N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate

C39H42N8O9 — CID 151954499

About [5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]-2-piperidin-4-yloxyphenyl] N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate

[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]-2-piperidin-4-yloxyphenyl] N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate (PubChem CID 151954499) has the molecular formula C39H42N8O9 and a molecular weight of 766.81 g/mol. Its IUPAC name is [5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]-2-piperidin-4-yloxyphenyl] N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate.

Molecular Properties

• Compound Name: [5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]-2-piperidin-4-yloxyphenyl] N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate
• PubChem CID: 151954499
• Molecular Formula: C39H42N8O9
• Molecular Weight: 766.81 g/mol
• Exact Mass: 766.31
• IUPAC Name: [5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]-2-piperidin-4-yloxyphenyl] N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate
• SMILES: CCNC(=O)c1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc(OC2CCNCC2)c(OC(=O)Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)c1
• InChI: InChI=1S/C39H42N8O9/c1-4-41-37(52)35-45-44-34(25-17-24(20(2)3)29(48)18-30(25)49)47(35)21-8-10-31(55-22-12-14-40-15-13-22)32(16-21)56-39(54)42-27-7-5-6-23-26(27)19-46(38(23)53)28-9-11-33(50)43-36(28)51/h5-8,10,16-18,20,22,28,40,48-49H,4,9,11-15,19H2,1-3H3,(H,41,52)(H,42,54)(H,43,50,51)
• InChIKey: TXIRNZWDSWIFDR-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 226.34 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	766.81
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]-2-piperidin-4-yloxyphenyl] N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate?

The IUPAC name of [5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]-2-piperidin-4-yloxyphenyl] N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate (CID 151954499) is [5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]-2-piperidin-4-yloxyphenyl] N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate.

What is the SMILES notation for [5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]-2-piperidin-4-yloxyphenyl] N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate?

The canonical SMILES for [5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]-2-piperidin-4-yloxyphenyl] N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate is CCNC(=O)c1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc(OC2CCNCC2)c(OC(=O)Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)c1.

What is the InChIKey of [5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]-2-piperidin-4-yloxyphenyl] N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate?

The InChIKey is TXIRNZWDSWIFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42N8O9/c1-4-41-37(52)35-45-44-34(25-17-24(20(2)3)29(48)18-30(25)49)47(35)21-8-10-31(55-22-12-14-40-15-13-22)32(16-21)56-39(54)42-27-7-5-6-23-26(27)19-46(38(23)53)28-9-11-33(50)43-36(28)51/h5-8,10,16-18,20,22,28,40,48-49H,4,9,11-15,19H2,1-3H3,(H,41,52)(H,42,54)(H,43,50,51).

What are the key properties of [5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]-2-piperidin-4-yloxyphenyl] N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate?

[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]-2-piperidin-4-yloxyphenyl] N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate has a molecular weight of 766.81 g/mol, XLogP of 3.72, 10 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]-2-piperidin-4-yloxyphenyl] N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate is sourced from PubChem (CID 151954499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).