tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-4-(2-methoxyethoxy)-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;3-[7-(2-methoxyethoxy)-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride

C45H61ClN8O12 — CID 157298565

About tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-4-(2-methoxyethoxy)-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;3-[7-(2-methoxyethoxy)-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride

tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-4-(2-methoxyethoxy)-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;3-[7-(2-methoxyethoxy)-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride (PubChem CID 157298565) has the molecular formula C45H61ClN8O12 and a molecular weight of 941.48 g/mol. Its IUPAC name is tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-4-(2-methoxyethoxy)-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;3-[7-(2-methoxyethoxy)-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-4-(2-methoxyethoxy)-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;3-[7-(2-methoxyethoxy)-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride
• PubChem CID: 157298565
• Molecular Formula: C45H61ClN8O12
• Molecular Weight: 941.48 g/mol
• Exact Mass: 940.41
• IUPAC Name: tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-4-(2-methoxyethoxy)-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;3-[7-(2-methoxyethoxy)-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride
• SMILES: COCCOc1c(N2CCN(C(=O)OC(C)(C)C)CC2)ccc2c1CN(C1CCC(=O)NC1=O)C2=O.COCCOc1c(N2CCNCC2)ccc2c1CN(C1CCC(=O)NC1=O)C2=O.Cl
• InChI: InChI=1S/C25H34N4O7.C20H26N4O5.ClH/c1-25(2,3)36-24(33)28-11-9-27(10-12-28)18-6-5-16-17(21(18)35-14-13-34-4)15-29(23(16)32)19-7-8-20(30)26-22(19)31;1-28-10-11-29-18-14-12-24(16-4-5-17(25)22-19(16)26)20(27)13(14)2-3-15(18)23-8-6-21-7-9-23;/h5-6,19H,7-15H2,1-4H3,(H,26,30,31);2-3,16,21H,4-12H2,1H3,(H,22,25,26);1H
• InChIKey: DCNPMYIUTOCBTO-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 217.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	941.48
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	3
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 tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-4-(2-methoxyethoxy)-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;3-[7-(2-methoxyethoxy)-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride?

The IUPAC name of tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-4-(2-methoxyethoxy)-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;3-[7-(2-methoxyethoxy)-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride (CID 157298565) is tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-4-(2-methoxyethoxy)-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;3-[7-(2-methoxyethoxy)-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride.

What is the SMILES notation for tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-4-(2-methoxyethoxy)-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;3-[7-(2-methoxyethoxy)-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride?

The canonical SMILES for tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-4-(2-methoxyethoxy)-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;3-[7-(2-methoxyethoxy)-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride is COCCOc1c(N2CCN(C(=O)OC(C)(C)C)CC2)ccc2c1CN(C1CCC(=O)NC1=O)C2=O.COCCOc1c(N2CCNCC2)ccc2c1CN(C1CCC(=O)NC1=O)C2=O.Cl.

What is the InChIKey of tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-4-(2-methoxyethoxy)-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;3-[7-(2-methoxyethoxy)-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride?

The InChIKey is DCNPMYIUTOCBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O7.C20H26N4O5.ClH/c1-25(2,3)36-24(33)28-11-9-27(10-12-28)18-6-5-16-17(21(18)35-14-13-34-4)15-29(23(16)32)19-7-8-20(30)26-22(19)31;1-28-10-11-29-18-14-12-24(16-4-5-17(25)22-19(16)26)20(27)13(14)2-3-15(18)23-8-6-21-7-9-23;/h5-6,19H,7-15H2,1-4H3,(H,26,30,31);2-3,16,21H,4-12H2,1H3,(H,22,25,26);1H.

What are the key properties of tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-4-(2-methoxyethoxy)-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;3-[7-(2-methoxyethoxy)-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride?

tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-4-(2-methoxyethoxy)-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;3-[7-(2-methoxyethoxy)-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride has a molecular weight of 941.48 g/mol, XLogP of 1.83, 12 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-4-(2-methoxyethoxy)-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;3-[7-(2-methoxyethoxy)-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride is sourced from PubChem (CID 157298565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).