tert-butyl 4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]piperidine-1-carboxylate;4-[7-[(3-methyl-1-benzofuran-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(2-methyl-1,3-dihydroisoindol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-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-(pyridin-2-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride

C156H164ClN13O32 — CID 161108468

About tert-butyl 4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]piperidine-1-carboxylate;4-[7-[(3-methyl-1-benzofuran-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(2-methyl-1,3-dihydroisoindol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-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-(pyridin-2-ylmethoxy)-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-[(3-methyl-1-benzofuran-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(2-methyl-1,3-dihydroisoindol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-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-(pyridin-2-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride (PubChem CID 161108468) has the molecular formula C156H164ClN13O32 and a molecular weight of 2768.54 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-[(3-methyl-1-benzofuran-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(2-methyl-1,3-dihydroisoindol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-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-(pyridin-2-ylmethoxy)-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-[(3-methyl-1-benzofuran-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(2-methyl-1,3-dihydroisoindol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-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-(pyridin-2-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride
• PubChem CID: 161108468
• Molecular Formula: C156H164ClN13O32
• Molecular Weight: 2768.54 g/mol
• Exact Mass: 2766.13
• IUPAC Name: tert-butyl 4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]piperidine-1-carboxylate;4-[7-[(3-methyl-1-benzofuran-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(2-methyl-1,3-dihydroisoindol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-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-(pyridin-2-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCC(COc2cccc3c2CN(C2CCC(=O)CC2=O)C3=O)CC1.CN1Cc2ccc(COc3cccc4c3CN(C3CCC(=O)CC3=O)C4=O)cc2C1.Cc1c(COc2cccc3c2CN(C2CCC(=O)CC2=O)C3=O)oc2ccccc12.Cl.Cn1nc(COc2cccc3c2CN(C2CCC(=O)CC2=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(OCc4ccccn4)cccc3C2=O)C(=O)C1
• InChI: InChI=1S/C25H32N2O6.C24H24N2O4.C24H21NO5.C23H21N3O4.C20H18N2O4.C20H24N2O4.C20H23NO5.ClH/c1-25(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;1-25-11-16-6-5-15(9-17(16)12-25)14-30-23-4-2-3-19-20(23)13-26(24(19)29)21-8-7-18(27)10-22(21)28;1-14-16-5-2-3-7-22(16)30-23(14)13-29-21-8-4-6-17-18(21)12-25(24(17)28)19-10-9-15(26)11-20(19)27;1-25-19-7-3-2-5-16(19)18(24-25)13-30-22-8-4-6-15-17(22)12-26(23(15)29)20-10-9-14(27)11-21(20)28;23-14-7-8-17(18(24)10-14)22-11-16-15(20(22)25)5-3-6-19(16)26-12-13-4-1-2-9-21-13;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;/h4-6,16,20H,7-15H2,1-3H3;2-6,9,21H,7-8,10-14H2,1H3;2-8,19H,9-13H2,1H3;2-8,20H,9-13H2,1H3;1-6,9,17H,7-8,10-12H2;1-3,13,17,21H,4-12H2;1,4-5,13,17H,2-3,6-12H2;1H
• InChIKey: PKAUBPMEWINXOF-UHFFFAOYSA-N
• XLogP: 19.56
• TPSA: 543.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 37
• Rotatable Bonds: 28
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2768.54
LogP ≤ 5	19.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', '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-[(3-methyl-1-benzofuran-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(2-methyl-1,3-dihydroisoindol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-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-(pyridin-2-ylmethoxy)-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-[(3-methyl-1-benzofuran-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(2-methyl-1,3-dihydroisoindol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-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-(pyridin-2-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride (CID 161108468) is tert-butyl 4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]piperidine-1-carboxylate;4-[7-[(3-methyl-1-benzofuran-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(2-methyl-1,3-dihydroisoindol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-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-(pyridin-2-ylmethoxy)-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-[(3-methyl-1-benzofuran-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(2-methyl-1,3-dihydroisoindol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-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-(pyridin-2-ylmethoxy)-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-[(3-methyl-1-benzofuran-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(2-methyl-1,3-dihydroisoindol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-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-(pyridin-2-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride is CC(C)(C)OC(=O)N1CCC(COc2cccc3c2CN(C2CCC(=O)CC2=O)C3=O)CC1.CN1Cc2ccc(COc3cccc4c3CN(C3CCC(=O)CC3=O)C4=O)cc2C1.Cc1c(COc2cccc3c2CN(C2CCC(=O)CC2=O)C3=O)oc2ccccc12.Cl.Cn1nc(COc2cccc3c2CN(C2CCC(=O)CC2=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(OCc4ccccn4)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-[(3-methyl-1-benzofuran-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(2-methyl-1,3-dihydroisoindol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-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-(pyridin-2-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride?

The InChIKey is PKAUBPMEWINXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O6.C24H24N2O4.C24H21NO5.C23H21N3O4.C20H18N2O4.C20H24N2O4.C20H23NO5.ClH/c1-25(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;1-25-11-16-6-5-15(9-17(16)12-25)14-30-23-4-2-3-19-20(23)13-26(24(19)29)21-8-7-18(27)10-22(21)28;1-14-16-5-2-3-7-22(16)30-23(14)13-29-21-8-4-6-17-18(21)12-25(24(17)28)19-10-9-15(26)11-20(19)27;1-25-19-7-3-2-5-16(19)18(24-25)13-30-22-8-4-6-15-17(22)12-26(23(15)29)20-10-9-14(27)11-21(20)28;23-14-7-8-17(18(24)10-14)22-11-16-15(20(22)25)5-3-6-19(16)26-12-13-4-1-2-9-21-13;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;/h4-6,16,20H,7-15H2,1-3H3;2-6,9,21H,7-8,10-14H2,1H3;2-8,19H,9-13H2,1H3;2-8,20H,9-13H2,1H3;1-6,9,17H,7-8,10-12H2;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-[(3-methyl-1-benzofuran-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(2-methyl-1,3-dihydroisoindol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-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-(pyridin-2-ylmethoxy)-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-[(3-methyl-1-benzofuran-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(2-methyl-1,3-dihydroisoindol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-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-(pyridin-2-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride has a molecular weight of 2768.54 g/mol, XLogP of 19.56, 28 rotatable bonds, 1 hydrogen bond donors, and 37 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-[(3-methyl-1-benzofuran-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(2-methyl-1,3-dihydroisoindol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-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-(pyridin-2-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride is sourced from PubChem (CID 161108468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).