3-amino-3-methylpiperidine-2,6-dione;tert-butyl 4-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;tert-butyl 4-[2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;tert-butyl 4-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;2-formyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;methane;2-[2-(3-methyl-2,6-dioxopiperidin-3-yl)ethyl]-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;(3R)-3-methyl-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;(3S)-3-methyl-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;dihydrochloride

C154H209Cl2N27O34 — CID 159011135

About 3-amino-3-methylpiperidine-2,6-dione;tert-butyl 4-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;tert-butyl 4-[2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;tert-butyl 4-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;2-formyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;methane;2-[2-(3-methyl-2,6-dioxopiperidin-3-yl)ethyl]-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;(3R)-3-methyl-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;(3S)-3-methyl-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;dihydrochloride

3-amino-3-methylpiperidine-2,6-dione;tert-butyl 4-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;tert-butyl 4-[2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;tert-butyl 4-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;2-formyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;methane;2-[2-(3-methyl-2,6-dioxopiperidin-3-yl)ethyl]-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;(3R)-3-methyl-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;(3S)-3-methyl-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;dihydrochloride (PubChem CID 159011135) has the molecular formula C154H209Cl2N27O34 and a molecular weight of 3053.43 g/mol. Its IUPAC name is 3-amino-3-methylpiperidine-2,6-dione;tert-butyl 4-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;tert-butyl 4-[2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;tert-butyl 4-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;2-formyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;methane;2-[2-(3-methyl-2,6-dioxopiperidin-3-yl)ethyl]-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;(3R)-3-methyl-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;(3S)-3-methyl-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;dihydrochloride.

Molecular Properties

• Compound Name: 3-amino-3-methylpiperidine-2,6-dione;tert-butyl 4-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;tert-butyl 4-[2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;tert-butyl 4-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;2-formyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;methane;2-[2-(3-methyl-2,6-dioxopiperidin-3-yl)ethyl]-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;(3R)-3-methyl-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;(3S)-3-methyl-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;dihydrochloride
• PubChem CID: 159011135
• Molecular Formula: C154H209Cl2N27O34
• Molecular Weight: 3053.43 g/mol
• Exact Mass: 3050.48
• IUPAC Name: 3-amino-3-methylpiperidine-2,6-dione;tert-butyl 4-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;tert-butyl 4-[2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;tert-butyl 4-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;2-formyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;methane;2-[2-(3-methyl-2,6-dioxopiperidin-3-yl)ethyl]-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;(3R)-3-methyl-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;(3S)-3-methyl-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;dihydrochloride
• SMILES: C.C.CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)c(C=O)c2)CC1.CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)c(CCC3(C)CCC(=O)NC3=O)c2)CC1.CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)CN(C2(C)CCC(=O)NC2=O)C3=O)CC1.CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)CN([C@@]2(C)CCC(=O)NC2=O)C3=O)CC1.CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)CN([C@]2(C)CCC(=O)NC2=O)C3=O)CC1.CC1(N)CCC(=O)NC1=O.C[C@@]1(N2Cc3cc(N4CCNCC4)ccc3C2=O)CCC(=O)NC1=O.C[C@]1(N2Cc3cc(N4CCNCC4)ccc3C2=O)CCC(=O)NC1=O.Cl.Cl
• InChI: InChI=1S/C24H33N3O6.3C23H30N4O5.2C18H22N4O3.C17H22N2O5.C6H10N2O2.2CH4.2ClH/c1-23(2,3)33-22(32)27-13-11-26(12-14-27)17-5-6-18(20(29)30)16(15-17)7-9-24(4)10-8-19(28)25-21(24)31;3*1-22(2,3)32-21(31)26-11-9-25(10-12-26)16-5-6-17-15(13-16)14-27(19(17)29)23(4)8-7-18(28)24-20(23)30;2*1-18(5-4-15(23)20-17(18)25)22-11-12-10-13(2-3-14(12)16(22)24)21-8-6-19-7-9-21;1-17(2,3)24-16(23)19-8-6-18(7-9-19)13-4-5-14(15(21)22)12(10-13)11-20;1-6(7)3-2-4(9)8-5(6)10;;;;/h5-6,15H,7-14H2,1-4H3,(H,29,30)(H,25,28,31);3*5-6,13H,7-12,14H2,1-4H3,(H,24,28,30);2*2-3,10,19H,4-9,11H2,1H3,(H,20,23,25);4-5,10-11H,6-9H2,1-3H3,(H,21,22);2-3,7H2,1H3,(H,8,9,10);2*1H4;2*1H/t;2*23-;;2*18-;;;;;;/m.10.10....../s1
• InChIKey: JTLYZLNBWHNXCR-YQAAKSGGSA-N
• XLogP: 12.51
• TPSA: 736.87 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 42
• Rotatable Bonds: 18
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3053.43
LogP ≤ 5	12.51
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methylpiperidine-2,6-dione;tert-butyl 4-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;tert-butyl 4-[2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;tert-butyl 4-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;2-formyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;methane;2-[2-(3-methyl-2,6-dioxopiperidin-3-yl)ethyl]-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;(3R)-3-methyl-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;(3S)-3-methyl-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;dihydrochloride?

The IUPAC name of 3-amino-3-methylpiperidine-2,6-dione;tert-butyl 4-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;tert-butyl 4-[2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;tert-butyl 4-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;2-formyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;methane;2-[2-(3-methyl-2,6-dioxopiperidin-3-yl)ethyl]-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;(3R)-3-methyl-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;(3S)-3-methyl-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;dihydrochloride (CID 159011135) is 3-amino-3-methylpiperidine-2,6-dione;tert-butyl 4-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;tert-butyl 4-[2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;tert-butyl 4-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;2-formyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;methane;2-[2-(3-methyl-2,6-dioxopiperidin-3-yl)ethyl]-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;(3R)-3-methyl-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;(3S)-3-methyl-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;dihydrochloride.

What is the SMILES notation for 3-amino-3-methylpiperidine-2,6-dione;tert-butyl 4-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;tert-butyl 4-[2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;tert-butyl 4-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;2-formyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;methane;2-[2-(3-methyl-2,6-dioxopiperidin-3-yl)ethyl]-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;(3R)-3-methyl-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;(3S)-3-methyl-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;dihydrochloride?

The canonical SMILES for 3-amino-3-methylpiperidine-2,6-dione;tert-butyl 4-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;tert-butyl 4-[2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;tert-butyl 4-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;2-formyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;methane;2-[2-(3-methyl-2,6-dioxopiperidin-3-yl)ethyl]-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;(3R)-3-methyl-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;(3S)-3-methyl-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;dihydrochloride is C.C.CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)c(C=O)c2)CC1.CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)c(CCC3(C)CCC(=O)NC3=O)c2)CC1.CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)CN(C2(C)CCC(=O)NC2=O)C3=O)CC1.CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)CN([C@@]2(C)CCC(=O)NC2=O)C3=O)CC1.CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)CN([C@]2(C)CCC(=O)NC2=O)C3=O)CC1.CC1(N)CCC(=O)NC1=O.C[C@@]1(N2Cc3cc(N4CCNCC4)ccc3C2=O)CCC(=O)NC1=O.C[C@]1(N2Cc3cc(N4CCNCC4)ccc3C2=O)CCC(=O)NC1=O.Cl.Cl.

What is the InChIKey of 3-amino-3-methylpiperidine-2,6-dione;tert-butyl 4-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;tert-butyl 4-[2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;tert-butyl 4-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;2-formyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;methane;2-[2-(3-methyl-2,6-dioxopiperidin-3-yl)ethyl]-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;(3R)-3-methyl-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;(3S)-3-methyl-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;dihydrochloride?

The InChIKey is JTLYZLNBWHNXCR-YQAAKSGGSA-N. The full InChI is InChI=1S/C24H33N3O6.3C23H30N4O5.2C18H22N4O3.C17H22N2O5.C6H10N2O2.2CH4.2ClH/c1-23(2,3)33-22(32)27-13-11-26(12-14-27)17-5-6-18(20(29)30)16(15-17)7-9-24(4)10-8-19(28)25-21(24)31;3*1-22(2,3)32-21(31)26-11-9-25(10-12-26)16-5-6-17-15(13-16)14-27(19(17)29)23(4)8-7-18(28)24-20(23)30;2*1-18(5-4-15(23)20-17(18)25)22-11-12-10-13(2-3-14(12)16(22)24)21-8-6-19-7-9-21;1-17(2,3)24-16(23)19-8-6-18(7-9-19)13-4-5-14(15(21)22)12(10-13)11-20;1-6(7)3-2-4(9)8-5(6)10;;;;/h5-6,15H,7-14H2,1-4H3,(H,29,30)(H,25,28,31);3*5-6,13H,7-12,14H2,1-4H3,(H,24,28,30);2*2-3,10,19H,4-9,11H2,1H3,(H,20,23,25);4-5,10-11H,6-9H2,1-3H3,(H,21,22);2-3,7H2,1H3,(H,8,9,10);2*1H4;2*1H/t;2*23-;;2*18-;;;;;;/m.10.10....../s1.

What are the key properties of 3-amino-3-methylpiperidine-2,6-dione;tert-butyl 4-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;tert-butyl 4-[2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;tert-butyl 4-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;2-formyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;methane;2-[2-(3-methyl-2,6-dioxopiperidin-3-yl)ethyl]-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;(3R)-3-methyl-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;(3S)-3-methyl-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;dihydrochloride?

3-amino-3-methylpiperidine-2,6-dione;tert-butyl 4-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;tert-butyl 4-[2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;tert-butyl 4-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;2-formyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;methane;2-[2-(3-methyl-2,6-dioxopiperidin-3-yl)ethyl]-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;(3R)-3-methyl-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;(3S)-3-methyl-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;dihydrochloride has a molecular weight of 3053.43 g/mol, XLogP of 12.51, 18 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-3-methylpiperidine-2,6-dione;tert-butyl 4-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;tert-butyl 4-[2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;tert-butyl 4-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;2-formyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;methane;2-[2-(3-methyl-2,6-dioxopiperidin-3-yl)ethyl]-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;(3R)-3-methyl-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;(3S)-3-methyl-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;dihydrochloride is sourced from PubChem (CID 159011135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).