4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-aminocarbamate;tert-butyl 3,3-difluoro-4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;tert-butyl 4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;methanetricarbaldehyde

C88H118F8N18O25 — CID 158520846

About 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-aminocarbamate;tert-butyl 3,3-difluoro-4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;tert-butyl 4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;methanetricarbaldehyde

4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-aminocarbamate;tert-butyl 3,3-difluoro-4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;tert-butyl 4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;methanetricarbaldehyde (PubChem CID 158520846) has the molecular formula C88H118F8N18O25 and a molecular weight of 1980.00 g/mol. Its IUPAC name is 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-aminocarbamate;tert-butyl 3,3-difluoro-4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;tert-butyl 4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;methanetricarbaldehyde.

Molecular Properties

• Compound Name: 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-aminocarbamate;tert-butyl 3,3-difluoro-4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;tert-butyl 4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;methanetricarbaldehyde
• PubChem CID: 158520846
• Molecular Formula: C88H118F8N18O25
• Molecular Weight: 1980.00 g/mol
• Exact Mass: 1978.84
• IUPAC Name: 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-aminocarbamate;tert-butyl 3,3-difluoro-4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;tert-butyl 4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;methanetricarbaldehyde
• SMILES: CC(C)(C)OC(=O)N1CCC(=O)C(F)(F)C1.CC(C)(C)OC(=O)N1CCC(n2cc(C=O)cn2)C(F)(F)C1.CC(C)(C)OC(=O)N1CCC(n2cc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cn2)C(F)(F)C1.CC(C)(C)OC(=O)NN.CC(C)(C)OC(=O)NNC1CCN(C(=O)OC(C)(C)C)CC1(F)F.Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=CC(C=O)C=O
• InChI: InChI=1S/C27H30F2N6O6.C15H27F2N3O4.C14H19F2N3O3.C13H11N3O4.C10H15F2NO3.C5H12N2O2.C4H4O3/c1-26(2,3)41-25(40)33-10-9-19(27(28,29)14-33)34-13-15(12-31-34)11-30-17-6-4-5-16-21(17)24(39)35(23(16)38)18-7-8-20(36)32-22(18)37;1-13(2,3)23-11(21)19-18-10-7-8-20(9-15(10,16)17)12(22)24-14(4,5)6;1-13(2,3)22-12(21)18-5-4-11(14(15,16)9-18)19-7-10(8-20)6-17-19;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;1-9(2,3)16-8(15)13-5-4-7(14)10(11,12)6-13;1-5(2,3)9-4(8)7-6;5-1-4(2-6)3-7/h4-6,12-13,18-19,30H,7-11,14H2,1-3H3,(H,32,36,37);10,18H,7-9H2,1-6H3,(H,19,21);6-8,11H,4-5,9H2,1-3H3;1-3,8H,4-5,14H2,(H,15,17,18);4-6H2,1-3H3;6H2,1-3H3,(H,7,8);1-4H
• InChIKey: HMEOOXOKZJWDOE-UHFFFAOYSA-N
• XLogP: 8.97
• TPSA: 559.01 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 13
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1980.00
LogP ≤ 5	8.97
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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 N-aminocarbamate;tert-butyl 3,3-difluoro-4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;tert-butyl 4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;methanetricarbaldehyde?

The IUPAC name of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-aminocarbamate;tert-butyl 3,3-difluoro-4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;tert-butyl 4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;methanetricarbaldehyde (CID 158520846) is 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-aminocarbamate;tert-butyl 3,3-difluoro-4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;tert-butyl 4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;methanetricarbaldehyde.

What is the SMILES notation for 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-aminocarbamate;tert-butyl 3,3-difluoro-4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;tert-butyl 4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;methanetricarbaldehyde?

The canonical SMILES for 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-aminocarbamate;tert-butyl 3,3-difluoro-4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;tert-butyl 4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;methanetricarbaldehyde is CC(C)(C)OC(=O)N1CCC(=O)C(F)(F)C1.CC(C)(C)OC(=O)N1CCC(n2cc(C=O)cn2)C(F)(F)C1.CC(C)(C)OC(=O)N1CCC(n2cc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cn2)C(F)(F)C1.CC(C)(C)OC(=O)NN.CC(C)(C)OC(=O)NNC1CCN(C(=O)OC(C)(C)C)CC1(F)F.Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=CC(C=O)C=O.

What is the InChIKey of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-aminocarbamate;tert-butyl 3,3-difluoro-4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;tert-butyl 4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;methanetricarbaldehyde?

The InChIKey is HMEOOXOKZJWDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F2N6O6.C15H27F2N3O4.C14H19F2N3O3.C13H11N3O4.C10H15F2NO3.C5H12N2O2.C4H4O3/c1-26(2,3)41-25(40)33-10-9-19(27(28,29)14-33)34-13-15(12-31-34)11-30-17-6-4-5-16-21(17)24(39)35(23(16)38)18-7-8-20(36)32-22(18)37;1-13(2,3)23-11(21)19-18-10-7-8-20(9-15(10,16)17)12(22)24-14(4,5)6;1-13(2,3)22-12(21)18-5-4-11(14(15,16)9-18)19-7-10(8-20)6-17-19;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;1-9(2,3)16-8(15)13-5-4-7(14)10(11,12)6-13;1-5(2,3)9-4(8)7-6;5-1-4(2-6)3-7/h4-6,12-13,18-19,30H,7-11,14H2,1-3H3,(H,32,36,37);10,18H,7-9H2,1-6H3,(H,19,21);6-8,11H,4-5,9H2,1-3H3;1-3,8H,4-5,14H2,(H,15,17,18);4-6H2,1-3H3;6H2,1-3H3,(H,7,8);1-4H.

What are the key properties of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-aminocarbamate;tert-butyl 3,3-difluoro-4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;tert-butyl 4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;methanetricarbaldehyde?

4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-aminocarbamate;tert-butyl 3,3-difluoro-4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;tert-butyl 4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;methanetricarbaldehyde has a molecular weight of 1980.00 g/mol, XLogP of 8.97, 13 rotatable bonds, 8 hydrogen bond donors, and 33 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 N-aminocarbamate;tert-butyl 3,3-difluoro-4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;tert-butyl 4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;methanetricarbaldehyde is sourced from PubChem (CID 158520846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).