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

C116H123Cl5N24O24 — CID 162197364

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

4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[3-chloro-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(3-chloro-4-formylpyrazol-1-yl)piperidine-1-carboxylate;4-[[3-chloro-1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cubane-1-carboxylic acid;hydrochloride (PubChem CID 162197364) has the molecular formula C116H123Cl5N24O24 and a molecular weight of 2414.67 g/mol. Its IUPAC name is 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[3-chloro-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(3-chloro-4-formylpyrazol-1-yl)piperidine-1-carboxylate;4-[[3-chloro-1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cubane-1-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[3-chloro-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(3-chloro-4-formylpyrazol-1-yl)piperidine-1-carboxylate;4-[[3-chloro-1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cubane-1-carboxylic acid;hydrochloride
• PubChem CID: 162197364
• Molecular Formula: C116H123Cl5N24O24
• Molecular Weight: 2414.67 g/mol
• Exact Mass: 2410.76
• IUPAC Name: 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[3-chloro-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(3-chloro-4-formylpyrazol-1-yl)piperidine-1-carboxylate;4-[[3-chloro-1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cubane-1-carboxylic acid;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCC(n2cc(C=O)c(Cl)n2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)c(Cl)n2)CC1.Cl.Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(O)C12C3C4C5C3C1C5C42.O=C1CCC(N2C(=O)c3cccc(NCc4cn(C5CCN(C(=O)C67C8C9C%10C8C6C%10C97)CC5)nc4Cl)c3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3cccc(NCc4cn(C5CCNCC5)nc4Cl)c3C2=O)C(=O)N1
• InChI: InChI=1S/C31H29ClN6O5.C27H31ClN6O6.C22H23ClN6O4.C14H20ClN3O3.C13H11N3O4.C9H8O2.ClH/c32-26-12(10-33-15-3-1-2-14-18(15)29(42)38(28(14)41)16-4-5-17(39)34-27(16)40)11-37(35-26)13-6-8-36(9-7-13)30(43)31-23-20-19-21(23)25(31)22(19)24(20)31;1-27(2,3)40-26(39)32-11-9-16(10-12-32)33-14-15(22(28)31-33)13-29-18-6-4-5-17-21(18)25(38)34(24(17)37)19-7-8-20(35)30-23(19)36;23-19-12(11-28(27-19)13-6-8-24-9-7-13)10-25-15-3-1-2-14-18(15)22(33)29(21(14)32)16-4-5-17(30)26-20(16)31;1-14(2,3)21-13(20)17-6-4-11(5-7-17)18-8-10(9-19)12(15)16-18;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;/h1-3,11,13,16,19-25,33H,4-10H2,(H,34,39,40);4-6,14,16,19,29H,7-13H2,1-3H3,(H,30,35,36);1-3,11,13,16,24-25H,4-10H2,(H,26,30,31);8-9,11H,4-7H2,1-3H3;1-3,8H,4-5,14H2,(H,15,17,18);1-7H,(H,10,11);1H
• InChIKey: ACEGFCJDTIGCAY-UHFFFAOYSA-N
• XLogP: 10.13
• TPSA: 613.38 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 20
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2414.67
LogP ≤ 5	10.13
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 4-[3-chloro-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(3-chloro-4-formylpyrazol-1-yl)piperidine-1-carboxylate;4-[[3-chloro-1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cubane-1-carboxylic acid;hydrochloride?

The IUPAC name of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[3-chloro-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(3-chloro-4-formylpyrazol-1-yl)piperidine-1-carboxylate;4-[[3-chloro-1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cubane-1-carboxylic acid;hydrochloride (CID 162197364) is 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[3-chloro-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(3-chloro-4-formylpyrazol-1-yl)piperidine-1-carboxylate;4-[[3-chloro-1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cubane-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-[3-chloro-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(3-chloro-4-formylpyrazol-1-yl)piperidine-1-carboxylate;4-[[3-chloro-1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cubane-1-carboxylic acid;hydrochloride?

The canonical SMILES for 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[3-chloro-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(3-chloro-4-formylpyrazol-1-yl)piperidine-1-carboxylate;4-[[3-chloro-1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cubane-1-carboxylic acid;hydrochloride is CC(C)(C)OC(=O)N1CCC(n2cc(C=O)c(Cl)n2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)c(Cl)n2)CC1.Cl.Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(O)C12C3C4C5C3C1C5C42.O=C1CCC(N2C(=O)c3cccc(NCc4cn(C5CCN(C(=O)C67C8C9C%10C8C6C%10C97)CC5)nc4Cl)c3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3cccc(NCc4cn(C5CCNCC5)nc4Cl)c3C2=O)C(=O)N1.

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

The InChIKey is ACEGFCJDTIGCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29ClN6O5.C27H31ClN6O6.C22H23ClN6O4.C14H20ClN3O3.C13H11N3O4.C9H8O2.ClH/c32-26-12(10-33-15-3-1-2-14-18(15)29(42)38(28(14)41)16-4-5-17(39)34-27(16)40)11-37(35-26)13-6-8-36(9-7-13)30(43)31-23-20-19-21(23)25(31)22(19)24(20)31;1-27(2,3)40-26(39)32-11-9-16(10-12-32)33-14-15(22(28)31-33)13-29-18-6-4-5-17-21(18)25(38)34(24(17)37)19-7-8-20(35)30-23(19)36;23-19-12(11-28(27-19)13-6-8-24-9-7-13)10-25-15-3-1-2-14-18(15)22(33)29(21(14)32)16-4-5-17(30)26-20(16)31;1-14(2,3)21-13(20)17-6-4-11(5-7-17)18-8-10(9-19)12(15)16-18;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;/h1-3,11,13,16,19-25,33H,4-10H2,(H,34,39,40);4-6,14,16,19,29H,7-13H2,1-3H3,(H,30,35,36);1-3,11,13,16,24-25H,4-10H2,(H,26,30,31);8-9,11H,4-7H2,1-3H3;1-3,8H,4-5,14H2,(H,15,17,18);1-7H,(H,10,11);1H.

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

4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[3-chloro-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(3-chloro-4-formylpyrazol-1-yl)piperidine-1-carboxylate;4-[[3-chloro-1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cubane-1-carboxylic acid;hydrochloride has a molecular weight of 2414.67 g/mol, XLogP of 10.13, 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 4-[3-chloro-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(3-chloro-4-formylpyrazol-1-yl)piperidine-1-carboxylate;4-[[3-chloro-1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cubane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 162197364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).