2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl (3R)-3-[5-amino-4-carbamoyl-3-(4-phenoxyphenyl)pyrazol-1-yl]piperidine-1-carboxylate

C43H48N8O11 — CID 172655144

About 2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl (3R)-3-[5-amino-4-carbamoyl-3-(4-phenoxyphenyl)pyrazol-1-yl]piperidine-1-carboxylate

2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl (3R)-3-[5-amino-4-carbamoyl-3-(4-phenoxyphenyl)pyrazol-1-yl]piperidine-1-carboxylate (PubChem CID 172655144) has the molecular formula C43H48N8O11 and a molecular weight of 852.90 g/mol. Its IUPAC name is 2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl (3R)-3-[5-amino-4-carbamoyl-3-(4-phenoxyphenyl)pyrazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl (3R)-3-[5-amino-4-carbamoyl-3-(4-phenoxyphenyl)pyrazol-1-yl]piperidine-1-carboxylate
• PubChem CID: 172655144
• Molecular Formula: C43H48N8O11
• Molecular Weight: 852.90 g/mol
• Exact Mass: 852.34
• IUPAC Name: 2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl (3R)-3-[5-amino-4-carbamoyl-3-(4-phenoxyphenyl)pyrazol-1-yl]piperidine-1-carboxylate
• SMILES: NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn([C@@H]2CCCN(C(=O)OCCOCCOCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)c1N
• InChI: InChI=1S/C43H48N8O11/c44-38-36(39(45)53)37(27-11-13-30(14-12-27)62-29-7-2-1-3-8-29)48-51(38)28-6-5-18-49(26-28)43(57)61-25-24-60-23-22-59-21-20-58-19-17-46-32-10-4-9-31-35(32)42(56)50(41(31)55)33-15-16-34(52)47-40(33)54/h1-4,7-14,28,33,46H,5-6,15-26,44H2,(H2,45,53)(H,47,52,54)/t28-,33?/m1/s1
• InChIKey: TWVASXTUMHBOEU-TUDONDPESA-N
• XLogP: 3.36
• TPSA: 248.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 19
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	852.90
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl (3R)-3-[5-amino-4-carbamoyl-3-(4-phenoxyphenyl)pyrazol-1-yl]piperidine-1-carboxylate?

The IUPAC name of 2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl (3R)-3-[5-amino-4-carbamoyl-3-(4-phenoxyphenyl)pyrazol-1-yl]piperidine-1-carboxylate (CID 172655144) is 2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl (3R)-3-[5-amino-4-carbamoyl-3-(4-phenoxyphenyl)pyrazol-1-yl]piperidine-1-carboxylate.

What is the SMILES notation for 2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl (3R)-3-[5-amino-4-carbamoyl-3-(4-phenoxyphenyl)pyrazol-1-yl]piperidine-1-carboxylate?

The canonical SMILES for 2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl (3R)-3-[5-amino-4-carbamoyl-3-(4-phenoxyphenyl)pyrazol-1-yl]piperidine-1-carboxylate is NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn([C@@H]2CCCN(C(=O)OCCOCCOCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)c1N.

What is the InChIKey of 2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl (3R)-3-[5-amino-4-carbamoyl-3-(4-phenoxyphenyl)pyrazol-1-yl]piperidine-1-carboxylate?

The InChIKey is TWVASXTUMHBOEU-TUDONDPESA-N. The full InChI is InChI=1S/C43H48N8O11/c44-38-36(39(45)53)37(27-11-13-30(14-12-27)62-29-7-2-1-3-8-29)48-51(38)28-6-5-18-49(26-28)43(57)61-25-24-60-23-22-59-21-20-58-19-17-46-32-10-4-9-31-35(32)42(56)50(41(31)55)33-15-16-34(52)47-40(33)54/h1-4,7-14,28,33,46H,5-6,15-26,44H2,(H2,45,53)(H,47,52,54)/t28-,33?/m1/s1.

What are the key properties of 2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl (3R)-3-[5-amino-4-carbamoyl-3-(4-phenoxyphenyl)pyrazol-1-yl]piperidine-1-carboxylate?

2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl (3R)-3-[5-amino-4-carbamoyl-3-(4-phenoxyphenyl)pyrazol-1-yl]piperidine-1-carboxylate has a molecular weight of 852.90 g/mol, XLogP of 3.36, 19 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl (3R)-3-[5-amino-4-carbamoyl-3-(4-phenoxyphenyl)pyrazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 172655144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).