tert-butyl 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione

C56H74N10O13 — CID 163799042

About tert-butyl 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione

tert-butyl 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione (PubChem CID 163799042) has the molecular formula C56H74N10O13 and a molecular weight of 1095.26 g/mol. Its IUPAC name is tert-butyl 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione.

Molecular Properties

• Compound Name: tert-butyl 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione
• PubChem CID: 163799042
• Molecular Formula: C56H74N10O13
• Molecular Weight: 1095.26 g/mol
• Exact Mass: 1094.54
• IUPAC Name: tert-butyl 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione
• SMILES: CC(C)(C)OC(=O)N1CCC(C=O)CC1.CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1.O=C1CCC(N2C(=O)c3ccc(N4CCNCC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C28H37N5O6.C17H18N4O4.C11H19NO3/c1-28(2,3)39-27(38)32-10-8-18(9-11-32)17-30-12-14-31(15-13-30)19-4-5-20-21(16-19)26(37)33(25(20)36)22-6-7-23(34)29-24(22)35;22-14-4-3-13(15(23)19-14)21-16(24)11-2-1-10(9-12(11)17(21)25)20-7-5-18-6-8-20;1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12/h4-5,16,18,22H,6-15,17H2,1-3H3,(H,29,34,35);1-2,9,13,18H,3-8H2,(H,19,22,23);8-9H,4-7H2,1-3H3
• InChIKey: NDJLCZXFOKFSCS-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 265.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 7
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1095.26
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

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 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione?

The IUPAC name of tert-butyl 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione (CID 163799042) is tert-butyl 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione.

What is the SMILES notation for tert-butyl 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione?

The canonical SMILES for tert-butyl 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione is CC(C)(C)OC(=O)N1CCC(C=O)CC1.CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1.O=C1CCC(N2C(=O)c3ccc(N4CCNCC4)cc3C2=O)C(=O)N1.

What is the InChIKey of tert-butyl 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione?

The InChIKey is NDJLCZXFOKFSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O6.C17H18N4O4.C11H19NO3/c1-28(2,3)39-27(38)32-10-8-18(9-11-32)17-30-12-14-31(15-13-30)19-4-5-20-21(16-19)26(37)33(25(20)36)22-6-7-23(34)29-24(22)35;22-14-4-3-13(15(23)19-14)21-16(24)11-2-1-10(9-12(11)17(21)25)20-7-5-18-6-8-20;1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12/h4-5,16,18,22H,6-15,17H2,1-3H3,(H,29,34,35);1-2,9,13,18H,3-8H2,(H,19,22,23);8-9H,4-7H2,1-3H3.

What are the key properties of tert-butyl 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione?

tert-butyl 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione has a molecular weight of 1095.26 g/mol, XLogP of 3.19, 7 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione is sourced from PubChem (CID 163799042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).