4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl (4S)-4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]-2,2-dimethylpiperidine-1-carboxylate;tert-butyl 4-(4-formylpyrazol-1-yl)-2,2-dimethylpiperidine-1-carboxylate;4-[[1-[(4S)-1-(cubane-1-carbonyl)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cubane-1-carboxylic acid;4-[[1-[(4S)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride

C124H143ClN24O24 — CID 161236172

About 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl (4S)-4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]-2,2-dimethylpiperidine-1-carboxylate;tert-butyl 4-(4-formylpyrazol-1-yl)-2,2-dimethylpiperidine-1-carboxylate;4-[[1-[(4S)-1-(cubane-1-carbonyl)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cubane-1-carboxylic acid;4-[[1-[(4S)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride

4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl (4S)-4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]-2,2-dimethylpiperidine-1-carboxylate;tert-butyl 4-(4-formylpyrazol-1-yl)-2,2-dimethylpiperidine-1-carboxylate;4-[[1-[(4S)-1-(cubane-1-carbonyl)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cubane-1-carboxylic acid;4-[[1-[(4S)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride (PubChem CID 161236172) has the molecular formula C124H143ClN24O24 and a molecular weight of 2389.10 g/mol. Its IUPAC name is 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl (4S)-4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]-2,2-dimethylpiperidine-1-carboxylate;tert-butyl 4-(4-formylpyrazol-1-yl)-2,2-dimethylpiperidine-1-carboxylate;4-[[1-[(4S)-1-(cubane-1-carbonyl)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cubane-1-carboxylic acid;4-[[1-[(4S)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride.

Molecular Properties

• Compound Name: 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl (4S)-4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]-2,2-dimethylpiperidine-1-carboxylate;tert-butyl 4-(4-formylpyrazol-1-yl)-2,2-dimethylpiperidine-1-carboxylate;4-[[1-[(4S)-1-(cubane-1-carbonyl)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cubane-1-carboxylic acid;4-[[1-[(4S)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
• PubChem CID: 161236172
• Molecular Formula: C124H143ClN24O24
• Molecular Weight: 2389.10 g/mol
• Exact Mass: 2387.04
• IUPAC Name: 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl (4S)-4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]-2,2-dimethylpiperidine-1-carboxylate;tert-butyl 4-(4-formylpyrazol-1-yl)-2,2-dimethylpiperidine-1-carboxylate;4-[[1-[(4S)-1-(cubane-1-carbonyl)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cubane-1-carboxylic acid;4-[[1-[(4S)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCC(n2cc(C=O)cn2)CC1(C)C.CC(C)(C)OC(=O)N1CC[C@H](n2cc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cn2)CC1(C)C.CC1(C)C[C@@H](n2cc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cn2)CCN1.CC1(C)C[C@@H](n2cc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cn2)CCN1C(=O)C12C3C4C5C3C1C5C42.Cl.Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(O)C12C3C4C5C3C1C5C42
• InChI: InChI=1S/C33H34N6O5.C29H36N6O6.C24H28N6O4.C16H25N3O3.C13H11N3O4.C9H8O2.ClH/c1-32(2)10-15(8-9-37(32)31(44)33-25-22-21-23(25)27(33)24(21)26(22)33)38-13-14(12-35-38)11-34-17-5-3-4-16-20(17)30(43)39(29(16)42)18-6-7-19(40)36-28(18)41;1-28(2,3)41-27(40)33-12-11-18(13-29(33,4)5)34-16-17(15-31-34)14-30-20-8-6-7-19-23(20)26(39)35(25(19)38)21-9-10-22(36)32-24(21)37;1-24(2)10-15(8-9-26-24)29-13-14(12-27-29)11-25-17-5-3-4-16-20(17)23(34)30(22(16)33)18-6-7-19(31)28-21(18)32;1-15(2,3)22-14(21)18-7-6-13(8-16(18,4)5)19-10-12(11-20)9-17-19;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;10-8(11)9-5-2-1-3(5)7(9)4(1)6(2)9;/h3-5,12-13,15,18,21-27,34H,6-11H2,1-2H3,(H,36,40,41);6-8,15-16,18,21,30H,9-14H2,1-5H3,(H,32,36,37);3-5,12-13,15,18,25-26H,6-11H2,1-2H3,(H,28,31,32);9-11,13H,6-8H2,1-5H3;1-3,8H,4-5,14H2,(H,15,17,18);1-7H,(H,10,11);1H/t15-,18?,21?,22?,23?,24?,25?,26?,27?,33?;18-,21?;15-,18?;;;;/m000..../s1
• InChIKey: LXHSWOJHFXWCOY-KBTCCIPWSA-N
• XLogP: 10.63
• TPSA: 613.38 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 20
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2389.10
LogP ≤ 5	10.63
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', '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 (4S)-4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]-2,2-dimethylpiperidine-1-carboxylate;tert-butyl 4-(4-formylpyrazol-1-yl)-2,2-dimethylpiperidine-1-carboxylate;4-[[1-[(4S)-1-(cubane-1-carbonyl)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cubane-1-carboxylic acid;4-[[1-[(4S)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride?

The IUPAC name of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl (4S)-4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]-2,2-dimethylpiperidine-1-carboxylate;tert-butyl 4-(4-formylpyrazol-1-yl)-2,2-dimethylpiperidine-1-carboxylate;4-[[1-[(4S)-1-(cubane-1-carbonyl)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cubane-1-carboxylic acid;4-[[1-[(4S)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride (CID 161236172) is 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl (4S)-4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]-2,2-dimethylpiperidine-1-carboxylate;tert-butyl 4-(4-formylpyrazol-1-yl)-2,2-dimethylpiperidine-1-carboxylate;4-[[1-[(4S)-1-(cubane-1-carbonyl)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cubane-1-carboxylic acid;4-[[1-[(4S)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride.

What is the SMILES notation for 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl (4S)-4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]-2,2-dimethylpiperidine-1-carboxylate;tert-butyl 4-(4-formylpyrazol-1-yl)-2,2-dimethylpiperidine-1-carboxylate;4-[[1-[(4S)-1-(cubane-1-carbonyl)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cubane-1-carboxylic acid;4-[[1-[(4S)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride?

The canonical SMILES for 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl (4S)-4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]-2,2-dimethylpiperidine-1-carboxylate;tert-butyl 4-(4-formylpyrazol-1-yl)-2,2-dimethylpiperidine-1-carboxylate;4-[[1-[(4S)-1-(cubane-1-carbonyl)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cubane-1-carboxylic acid;4-[[1-[(4S)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride is CC(C)(C)OC(=O)N1CCC(n2cc(C=O)cn2)CC1(C)C.CC(C)(C)OC(=O)N1CC[C@H](n2cc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cn2)CC1(C)C.CC1(C)C[C@@H](n2cc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cn2)CCN1.CC1(C)C[C@@H](n2cc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cn2)CCN1C(=O)C12C3C4C5C3C1C5C42.Cl.Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(O)C12C3C4C5C3C1C5C42.

What is the InChIKey of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl (4S)-4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]-2,2-dimethylpiperidine-1-carboxylate;tert-butyl 4-(4-formylpyrazol-1-yl)-2,2-dimethylpiperidine-1-carboxylate;4-[[1-[(4S)-1-(cubane-1-carbonyl)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cubane-1-carboxylic acid;4-[[1-[(4S)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride?

The InChIKey is LXHSWOJHFXWCOY-KBTCCIPWSA-N. The full InChI is InChI=1S/C33H34N6O5.C29H36N6O6.C24H28N6O4.C16H25N3O3.C13H11N3O4.C9H8O2.ClH/c1-32(2)10-15(8-9-37(32)31(44)33-25-22-21-23(25)27(33)24(21)26(22)33)38-13-14(12-35-38)11-34-17-5-3-4-16-20(17)30(43)39(29(16)42)18-6-7-19(40)36-28(18)41;1-28(2,3)41-27(40)33-12-11-18(13-29(33,4)5)34-16-17(15-31-34)14-30-20-8-6-7-19-23(20)26(39)35(25(19)38)21-9-10-22(36)32-24(21)37;1-24(2)10-15(8-9-26-24)29-13-14(12-27-29)11-25-17-5-3-4-16-20(17)23(34)30(22(16)33)18-6-7-19(31)28-21(18)32;1-15(2,3)22-14(21)18-7-6-13(8-16(18,4)5)19-10-12(11-20)9-17-19;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;10-8(11)9-5-2-1-3(5)7(9)4(1)6(2)9;/h3-5,12-13,15,18,21-27,34H,6-11H2,1-2H3,(H,36,40,41);6-8,15-16,18,21,30H,9-14H2,1-5H3,(H,32,36,37);3-5,12-13,15,18,25-26H,6-11H2,1-2H3,(H,28,31,32);9-11,13H,6-8H2,1-5H3;1-3,8H,4-5,14H2,(H,15,17,18);1-7H,(H,10,11);1H/t15-,18?,21?,22?,23?,24?,25?,26?,27?,33?;18-,21?;15-,18?;;;;/m000..../s1.

What are the key properties of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl (4S)-4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]-2,2-dimethylpiperidine-1-carboxylate;tert-butyl 4-(4-formylpyrazol-1-yl)-2,2-dimethylpiperidine-1-carboxylate;4-[[1-[(4S)-1-(cubane-1-carbonyl)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cubane-1-carboxylic acid;4-[[1-[(4S)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride?

4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl (4S)-4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]-2,2-dimethylpiperidine-1-carboxylate;tert-butyl 4-(4-formylpyrazol-1-yl)-2,2-dimethylpiperidine-1-carboxylate;4-[[1-[(4S)-1-(cubane-1-carbonyl)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cubane-1-carboxylic acid;4-[[1-[(4S)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride has a molecular weight of 2389.10 g/mol, XLogP of 10.63, 20 rotatable bonds, 10 hydrogen bond donors, and 36 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 (4S)-4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]-2,2-dimethylpiperidine-1-carboxylate;tert-butyl 4-(4-formylpyrazol-1-yl)-2,2-dimethylpiperidine-1-carboxylate;4-[[1-[(4S)-1-(cubane-1-carbonyl)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cubane-1-carboxylic acid;4-[[1-[(4S)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride is sourced from PubChem (CID 161236172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).