tert-butyl 4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]piperidine-1-carboxylate;4-[7-[(1-methylbenzimidazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-(oxan-3-ylmethoxy)-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-(piperidin-4-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[6-(piperidin-1-ylmethyl)-1-benzofuran-2-yl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride

C139H151ClN14O28 — CID 158937921

About tert-butyl 4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]piperidine-1-carboxylate;4-[7-[(1-methylbenzimidazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-(oxan-3-ylmethoxy)-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-(piperidin-4-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[6-(piperidin-1-ylmethyl)-1-benzofuran-2-yl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride

tert-butyl 4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]piperidine-1-carboxylate;4-[7-[(1-methylbenzimidazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-(oxan-3-ylmethoxy)-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-(piperidin-4-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[6-(piperidin-1-ylmethyl)-1-benzofuran-2-yl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride (PubChem CID 158937921) has the molecular formula C139H151ClN14O28 and a molecular weight of 2501.26 g/mol. Its IUPAC name is tert-butyl 4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]piperidine-1-carboxylate;4-[7-[(1-methylbenzimidazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-(oxan-3-ylmethoxy)-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-(piperidin-4-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[6-(piperidin-1-ylmethyl)-1-benzofuran-2-yl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl 4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]piperidine-1-carboxylate;4-[7-[(1-methylbenzimidazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-(oxan-3-ylmethoxy)-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-(piperidin-4-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[6-(piperidin-1-ylmethyl)-1-benzofuran-2-yl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride
• PubChem CID: 158937921
• Molecular Formula: C139H151ClN14O28
• Molecular Weight: 2501.26 g/mol
• Exact Mass: 2499.05
• IUPAC Name: tert-butyl 4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]piperidine-1-carboxylate;4-[7-[(1-methylbenzimidazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-(oxan-3-ylmethoxy)-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-(piperidin-4-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[6-(piperidin-1-ylmethyl)-1-benzofuran-2-yl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCC(COc2cccc3c2CN(C2CCC(=O)CC2=O)C3=O)CC1.Cl.Cn1c(COc2cccc3c2CN(C2CCC(=O)CC2=O)C3=O)nc2ccccc21.Cn1nc(COc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)c2ccccc21.O=C1CCC(N2Cc3c(OCC4CCCOC4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCC4CCNCC4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4cc5ccc(CN6CCCCC6)cc5o4)cccc3C2=O)C(=O)C1
• InChI: InChI=1S/C29H30N2O5.C25H32N2O6.C23H21N3O4.C22H20N4O4.C20H24N2O4.C20H23NO5.ClH/c32-21-9-10-25(26(33)15-21)31-17-24-23(29(31)34)5-4-6-27(24)35-18-22-14-20-8-7-19(13-28(20)36-22)16-30-11-2-1-3-12-30;1-25(2,3)33-24(31)26-11-9-16(10-12-26)15-32-22-6-4-5-18-19(22)14-27(23(18)30)20-8-7-17(28)13-21(20)29;1-25-18-7-3-2-6-17(18)24-22(25)13-30-21-8-4-5-15-16(21)12-26(23(15)29)19-10-9-14(27)11-20(19)28;1-25-17-7-3-2-5-14(17)16(24-25)12-30-19-8-4-6-13-15(19)11-26(22(13)29)18-9-10-20(27)23-21(18)28;23-14-4-5-17(18(24)10-14)22-11-16-15(20(22)25)2-1-3-19(16)26-12-13-6-8-21-9-7-13;22-14-6-7-17(18(23)9-14)21-10-16-15(20(21)24)4-1-5-19(16)26-12-13-3-2-8-25-11-13;/h4-8,13-14,25H,1-3,9-12,15-18H2;4-6,16,20H,7-15H2,1-3H3;2-8,19H,9-13H2,1H3;2-8,18H,9-12H2,1H3,(H,23,27,28);1-3,13,17,21H,4-12H2;1,4-5,13,17H,2-3,6-12H2;1H
• InChIKey: WSPCDOPDIUXHDS-UHFFFAOYSA-N
• XLogP: 16.99
• TPSA: 496.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 34
• Rotatable Bonds: 26
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2501.26
LogP ≤ 5	16.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]piperidine-1-carboxylate;4-[7-[(1-methylbenzimidazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-(oxan-3-ylmethoxy)-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-(piperidin-4-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[6-(piperidin-1-ylmethyl)-1-benzofuran-2-yl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride?

The IUPAC name of tert-butyl 4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]piperidine-1-carboxylate;4-[7-[(1-methylbenzimidazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-(oxan-3-ylmethoxy)-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-(piperidin-4-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[6-(piperidin-1-ylmethyl)-1-benzofuran-2-yl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride (CID 158937921) is tert-butyl 4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]piperidine-1-carboxylate;4-[7-[(1-methylbenzimidazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-(oxan-3-ylmethoxy)-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-(piperidin-4-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[6-(piperidin-1-ylmethyl)-1-benzofuran-2-yl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride.

What is the SMILES notation for tert-butyl 4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]piperidine-1-carboxylate;4-[7-[(1-methylbenzimidazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-(oxan-3-ylmethoxy)-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-(piperidin-4-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[6-(piperidin-1-ylmethyl)-1-benzofuran-2-yl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride?

The canonical SMILES for tert-butyl 4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]piperidine-1-carboxylate;4-[7-[(1-methylbenzimidazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-(oxan-3-ylmethoxy)-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-(piperidin-4-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[6-(piperidin-1-ylmethyl)-1-benzofuran-2-yl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride is CC(C)(C)OC(=O)N1CCC(COc2cccc3c2CN(C2CCC(=O)CC2=O)C3=O)CC1.Cl.Cn1c(COc2cccc3c2CN(C2CCC(=O)CC2=O)C3=O)nc2ccccc21.Cn1nc(COc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)c2ccccc21.O=C1CCC(N2Cc3c(OCC4CCCOC4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCC4CCNCC4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4cc5ccc(CN6CCCCC6)cc5o4)cccc3C2=O)C(=O)C1.

What is the InChIKey of tert-butyl 4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]piperidine-1-carboxylate;4-[7-[(1-methylbenzimidazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-(oxan-3-ylmethoxy)-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-(piperidin-4-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[6-(piperidin-1-ylmethyl)-1-benzofuran-2-yl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride?

The InChIKey is WSPCDOPDIUXHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O5.C25H32N2O6.C23H21N3O4.C22H20N4O4.C20H24N2O4.C20H23NO5.ClH/c32-21-9-10-25(26(33)15-21)31-17-24-23(29(31)34)5-4-6-27(24)35-18-22-14-20-8-7-19(13-28(20)36-22)16-30-11-2-1-3-12-30;1-25(2,3)33-24(31)26-11-9-16(10-12-26)15-32-22-6-4-5-18-19(22)14-27(23(18)30)20-8-7-17(28)13-21(20)29;1-25-18-7-3-2-6-17(18)24-22(25)13-30-21-8-4-5-15-16(21)12-26(23(15)29)19-10-9-14(27)11-20(19)28;1-25-17-7-3-2-5-14(17)16(24-25)12-30-19-8-4-6-13-15(19)11-26(22(13)29)18-9-10-20(27)23-21(18)28;23-14-4-5-17(18(24)10-14)22-11-16-15(20(22)25)2-1-3-19(16)26-12-13-6-8-21-9-7-13;22-14-6-7-17(18(23)9-14)21-10-16-15(20(21)24)4-1-5-19(16)26-12-13-3-2-8-25-11-13;/h4-8,13-14,25H,1-3,9-12,15-18H2;4-6,16,20H,7-15H2,1-3H3;2-8,19H,9-13H2,1H3;2-8,18H,9-12H2,1H3,(H,23,27,28);1-3,13,17,21H,4-12H2;1,4-5,13,17H,2-3,6-12H2;1H.

What are the key properties of tert-butyl 4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]piperidine-1-carboxylate;4-[7-[(1-methylbenzimidazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-(oxan-3-ylmethoxy)-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-(piperidin-4-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[6-(piperidin-1-ylmethyl)-1-benzofuran-2-yl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride?

tert-butyl 4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]piperidine-1-carboxylate;4-[7-[(1-methylbenzimidazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-(oxan-3-ylmethoxy)-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-(piperidin-4-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[6-(piperidin-1-ylmethyl)-1-benzofuran-2-yl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride has a molecular weight of 2501.26 g/mol, XLogP of 16.99, 26 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]piperidine-1-carboxylate;4-[7-[(1-methylbenzimidazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-(oxan-3-ylmethoxy)-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-(piperidin-4-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[6-(piperidin-1-ylmethyl)-1-benzofuran-2-yl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride is sourced from PubChem (CID 158937921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).