4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-3,5-dimethylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-formyl-3,5-dimethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;4-[2-[3,5-dimethyl-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[2-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3,5-dimethyl-1H-pyrazole-4-carbaldehyde;1-methylcyclobutane-1-carboxylic acid;hydrochloride

C138H179ClN24O30S — CID 160608685

About 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-3,5-dimethylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-formyl-3,5-dimethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;4-[2-[3,5-dimethyl-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[2-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3,5-dimethyl-1H-pyrazole-4-carbaldehyde;1-methylcyclobutane-1-carboxylic acid;hydrochloride

4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-3,5-dimethylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-formyl-3,5-dimethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;4-[2-[3,5-dimethyl-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[2-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3,5-dimethyl-1H-pyrazole-4-carbaldehyde;1-methylcyclobutane-1-carboxylic acid;hydrochloride (PubChem CID 160608685) has the molecular formula C138H179ClN24O30S and a molecular weight of 2721.61 g/mol. Its IUPAC name is 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-3,5-dimethylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-formyl-3,5-dimethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;4-[2-[3,5-dimethyl-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[2-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3,5-dimethyl-1H-pyrazole-4-carbaldehyde;1-methylcyclobutane-1-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-3,5-dimethylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-formyl-3,5-dimethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;4-[2-[3,5-dimethyl-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[2-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3,5-dimethyl-1H-pyrazole-4-carbaldehyde;1-methylcyclobutane-1-carboxylic acid;hydrochloride
• PubChem CID: 160608685
• Molecular Formula: C138H179ClN24O30S
• Molecular Weight: 2721.61 g/mol
• Exact Mass: 2719.26
• IUPAC Name: 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-3,5-dimethylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-formyl-3,5-dimethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;4-[2-[3,5-dimethyl-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[2-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3,5-dimethyl-1H-pyrazole-4-carbaldehyde;1-methylcyclobutane-1-carboxylic acid;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCC(OS(C)(=O)=O)CC1.CC1(C(=O)O)CCC1.Cc1n[nH]c(C)c1C=O.Cc1nn(C2CCN(C(=O)C3(C)CCC3)CC2)c(C)c1CCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1C=O.Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1CCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.Cc1nn(C2CCNCC2)c(C)c1CCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.Cl.Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C31H37N5O5.C30H37N5O6.C25H29N5O4.C16H25N3O3.C13H11N3O4.C11H21NO5S.C6H8N2O.C6H10O2.ClH/c1-18-22(19(2)36(33-18)21-12-16-34(17-13-21)30(41)31(3)14-5-15-31)9-8-20-6-4-7-23-26(20)29(40)35(28(23)39)24-10-11-25(37)32-27(24)38;1-17-21(18(2)35(32-17)20-13-15-33(16-14-20)29(40)41-30(3,4)5)10-9-19-7-6-8-22-25(19)28(39)34(27(22)38)23-11-12-24(36)31-26(23)37;1-14-18(15(2)30(28-14)17-10-12-26-13-11-17)7-6-16-4-3-5-19-22(16)25(34)29(24(19)33)20-8-9-21(31)27-23(20)32;1-11-14(10-20)12(2)19(17-11)13-6-8-18(9-7-13)15(21)22-16(3,4)5;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;1-11(2,3)16-10(13)12-7-5-9(6-8-12)17-18(4,14)15;1-4-6(3-9)5(2)8-7-4;1-6(5(7)8)3-2-4-6;/h4,6-7,21,24H,5,8-17H2,1-3H3,(H,32,37,38);6-8,20,23H,9-16H2,1-5H3,(H,31,36,37);3-5,17,20,26H,6-13H2,1-2H3,(H,27,31,32);10,13H,6-9H2,1-5H3;1-3,8H,4-5,14H2,(H,15,17,18);9H,5-8H2,1-4H3;3H,1-2H3,(H,7,8);2-4H2,1H3,(H,7,8);1H
• InChIKey: RUCDKEPMZMUZMK-UHFFFAOYSA-N
• XLogP: 14.35
• TPSA: 695.95 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 40
• Rotatable Bonds: 23
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2721.61
LogP ≤ 5	14.35
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-3,5-dimethylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-formyl-3,5-dimethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;4-[2-[3,5-dimethyl-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[2-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3,5-dimethyl-1H-pyrazole-4-carbaldehyde;1-methylcyclobutane-1-carboxylic acid;hydrochloride?

The IUPAC name of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-3,5-dimethylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-formyl-3,5-dimethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;4-[2-[3,5-dimethyl-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[2-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3,5-dimethyl-1H-pyrazole-4-carbaldehyde;1-methylcyclobutane-1-carboxylic acid;hydrochloride (CID 160608685) is 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-3,5-dimethylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-formyl-3,5-dimethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;4-[2-[3,5-dimethyl-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[2-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3,5-dimethyl-1H-pyrazole-4-carbaldehyde;1-methylcyclobutane-1-carboxylic acid;hydrochloride.

What is the SMILES notation for 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-3,5-dimethylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-formyl-3,5-dimethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;4-[2-[3,5-dimethyl-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[2-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3,5-dimethyl-1H-pyrazole-4-carbaldehyde;1-methylcyclobutane-1-carboxylic acid;hydrochloride?

The canonical SMILES for 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-3,5-dimethylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-formyl-3,5-dimethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;4-[2-[3,5-dimethyl-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[2-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3,5-dimethyl-1H-pyrazole-4-carbaldehyde;1-methylcyclobutane-1-carboxylic acid;hydrochloride is CC(C)(C)OC(=O)N1CCC(OS(C)(=O)=O)CC1.CC1(C(=O)O)CCC1.Cc1n[nH]c(C)c1C=O.Cc1nn(C2CCN(C(=O)C3(C)CCC3)CC2)c(C)c1CCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1C=O.Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1CCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.Cc1nn(C2CCNCC2)c(C)c1CCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.Cl.Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-3,5-dimethylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-formyl-3,5-dimethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;4-[2-[3,5-dimethyl-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[2-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3,5-dimethyl-1H-pyrazole-4-carbaldehyde;1-methylcyclobutane-1-carboxylic acid;hydrochloride?

The InChIKey is RUCDKEPMZMUZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N5O5.C30H37N5O6.C25H29N5O4.C16H25N3O3.C13H11N3O4.C11H21NO5S.C6H8N2O.C6H10O2.ClH/c1-18-22(19(2)36(33-18)21-12-16-34(17-13-21)30(41)31(3)14-5-15-31)9-8-20-6-4-7-23-26(20)29(40)35(28(23)39)24-10-11-25(37)32-27(24)38;1-17-21(18(2)35(32-17)20-13-15-33(16-14-20)29(40)41-30(3,4)5)10-9-19-7-6-8-22-25(19)28(39)34(27(22)38)23-11-12-24(36)31-26(23)37;1-14-18(15(2)30(28-14)17-10-12-26-13-11-17)7-6-16-4-3-5-19-22(16)25(34)29(24(19)33)20-8-9-21(31)27-23(20)32;1-11-14(10-20)12(2)19(17-11)13-6-8-18(9-7-13)15(21)22-16(3,4)5;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;1-11(2,3)16-10(13)12-7-5-9(6-8-12)17-18(4,14)15;1-4-6(3-9)5(2)8-7-4;1-6(5(7)8)3-2-4-6;/h4,6-7,21,24H,5,8-17H2,1-3H3,(H,32,37,38);6-8,20,23H,9-16H2,1-5H3,(H,31,36,37);3-5,17,20,26H,6-13H2,1-2H3,(H,27,31,32);10,13H,6-9H2,1-5H3;1-3,8H,4-5,14H2,(H,15,17,18);9H,5-8H2,1-4H3;3H,1-2H3,(H,7,8);2-4H2,1H3,(H,7,8);1H.

What are the key properties of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-3,5-dimethylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-formyl-3,5-dimethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;4-[2-[3,5-dimethyl-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[2-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3,5-dimethyl-1H-pyrazole-4-carbaldehyde;1-methylcyclobutane-1-carboxylic acid;hydrochloride?

4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-3,5-dimethylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-formyl-3,5-dimethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;4-[2-[3,5-dimethyl-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[2-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3,5-dimethyl-1H-pyrazole-4-carbaldehyde;1-methylcyclobutane-1-carboxylic acid;hydrochloride has a molecular weight of 2721.61 g/mol, XLogP of 14.35, 23 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-3,5-dimethylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-formyl-3,5-dimethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;4-[2-[3,5-dimethyl-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[2-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3,5-dimethyl-1H-pyrazole-4-carbaldehyde;1-methylcyclobutane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 160608685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).