tert-butyl 6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;3-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]benzoic acid;methane;2,2,2-trifluoroacetaldehyde;hydrochloride

C67H84ClF3N12O15 — CID 158750044

About tert-butyl 6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;3-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]benzoic acid;methane;2,2,2-trifluoroacetaldehyde;hydrochloride

tert-butyl 6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;3-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]benzoic acid;methane;2,2,2-trifluoroacetaldehyde;hydrochloride (PubChem CID 158750044) has the molecular formula C67H84ClF3N12O15 and a molecular weight of 1389.92 g/mol. Its IUPAC name is tert-butyl 6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;3-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]benzoic acid;methane;2,2,2-trifluoroacetaldehyde;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl 6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;3-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]benzoic acid;methane;2,2,2-trifluoroacetaldehyde;hydrochloride
• PubChem CID: 158750044
• Molecular Formula: C67H84ClF3N12O15
• Molecular Weight: 1389.92 g/mol
• Exact Mass: 1388.58
• IUPAC Name: tert-butyl 6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;3-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]benzoic acid;methane;2,2,2-trifluoroacetaldehyde;hydrochloride
• SMILES: C.CC(C)(C)OC(=O)N1CC2(C1)CN(c1ccc(C(=O)O)c(CNC3CCC(=O)NC3=O)c1)C2.CC(C)(C)OC(=O)N1CC2(C1)CN(c1ccc3c(c1)CN(C1CCC(=O)NC1=O)C3=O)C2.Cl.O=C1CCC(N2Cc3cc(N4CC5(CNC5)C4)ccc3C2=O)C(=O)N1.O=CC(F)(F)F
• InChI: InChI=1S/C23H30N4O6.C23H28N4O5.C18H20N4O3.C2HF3O.CH4.ClH/c1-22(2,3)33-21(32)27-12-23(13-27)10-26(11-23)15-4-5-16(20(30)31)14(8-15)9-24-17-6-7-18(28)25-19(17)29;1-22(2,3)32-21(31)26-12-23(13-26)10-25(11-23)15-4-5-16-14(8-15)9-27(20(16)30)17-6-7-18(28)24-19(17)29;23-15-4-3-14(16(24)20-15)22-6-11-5-12(1-2-13(11)17(22)25)21-9-18(10-21)7-19-8-18;3-2(4,5)1-6;;/h4-5,8,17,24H,6-7,9-13H2,1-3H3,(H,30,31)(H,25,28,29);4-5,8,17H,6-7,9-13H2,1-3H3,(H,24,28,29);1-2,5,14,19H,3-4,6-10H2,(H,20,23,24);1H;1H4;1H
• InChIKey: DHDGBVDZSURXHV-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 326.36 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 9
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1389.92
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;3-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]benzoic acid;methane;2,2,2-trifluoroacetaldehyde;hydrochloride?

The IUPAC name of tert-butyl 6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;3-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]benzoic acid;methane;2,2,2-trifluoroacetaldehyde;hydrochloride (CID 158750044) is tert-butyl 6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;3-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]benzoic acid;methane;2,2,2-trifluoroacetaldehyde;hydrochloride.

What is the SMILES notation for tert-butyl 6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;3-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]benzoic acid;methane;2,2,2-trifluoroacetaldehyde;hydrochloride?

The canonical SMILES for tert-butyl 6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;3-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]benzoic acid;methane;2,2,2-trifluoroacetaldehyde;hydrochloride is C.CC(C)(C)OC(=O)N1CC2(C1)CN(c1ccc(C(=O)O)c(CNC3CCC(=O)NC3=O)c1)C2.CC(C)(C)OC(=O)N1CC2(C1)CN(c1ccc3c(c1)CN(C1CCC(=O)NC1=O)C3=O)C2.Cl.O=C1CCC(N2Cc3cc(N4CC5(CNC5)C4)ccc3C2=O)C(=O)N1.O=CC(F)(F)F.

What is the InChIKey of tert-butyl 6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;3-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]benzoic acid;methane;2,2,2-trifluoroacetaldehyde;hydrochloride?

The InChIKey is DHDGBVDZSURXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O6.C23H28N4O5.C18H20N4O3.C2HF3O.CH4.ClH/c1-22(2,3)33-21(32)27-12-23(13-27)10-26(11-23)15-4-5-16(20(30)31)14(8-15)9-24-17-6-7-18(28)25-19(17)29;1-22(2,3)32-21(31)26-12-23(13-26)10-25(11-23)15-4-5-16-14(8-15)9-27(20(16)30)17-6-7-18(28)24-19(17)29;23-15-4-3-14(16(24)20-15)22-6-11-5-12(1-2-13(11)17(22)25)21-9-18(10-21)7-19-8-18;3-2(4,5)1-6;;/h4-5,8,17,24H,6-7,9-13H2,1-3H3,(H,30,31)(H,25,28,29);4-5,8,17H,6-7,9-13H2,1-3H3,(H,24,28,29);1-2,5,14,19H,3-4,6-10H2,(H,20,23,24);1H;1H4;1H.

What are the key properties of tert-butyl 6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;3-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]benzoic acid;methane;2,2,2-trifluoroacetaldehyde;hydrochloride?

tert-butyl 6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;3-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]benzoic acid;methane;2,2,2-trifluoroacetaldehyde;hydrochloride has a molecular weight of 1389.92 g/mol, XLogP of 4.50, 9 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;3-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]benzoic acid;methane;2,2,2-trifluoroacetaldehyde;hydrochloride is sourced from PubChem (CID 158750044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).