tert-butyl 8-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;tert-butyl N-[1-[3-[[8-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]phenyl]sulfonylpiperidin-4-yl]carbamate

C60H70F2N10O14S — CID 175737413

About tert-butyl 8-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;tert-butyl N-[1-[3-[[8-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]phenyl]sulfonylpiperidin-4-yl]carbamate

tert-butyl 8-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;tert-butyl N-[1-[3-[[8-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]phenyl]sulfonylpiperidin-4-yl]carbamate (PubChem CID 175737413) has the molecular formula C60H70F2N10O14S and a molecular weight of 1225.34 g/mol. Its IUPAC name is tert-butyl 8-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;tert-butyl N-[1-[3-[[8-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]phenyl]sulfonylpiperidin-4-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl 8-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;tert-butyl N-[1-[3-[[8-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]phenyl]sulfonylpiperidin-4-yl]carbamate
• PubChem CID: 175737413
• Molecular Formula: C60H70F2N10O14S
• Molecular Weight: 1225.34 g/mol
• Exact Mass: 1224.48
• IUPAC Name: tert-butyl 8-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;tert-butyl N-[1-[3-[[8-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]phenyl]sulfonylpiperidin-4-yl]carbamate
• SMILES: CC(C)(C)OC(=O)N1CC2CCC(C1)N2c1cc2c(cc1F)C(=O)N(C1CCC(=O)NC1=O)C2=O.CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2cccc(CN3CC4CCC(C3)N4c3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)c2)CC1
• InChI: InChI=1S/C36H43FN6O8S.C24H27FN4O6/c1-36(2,3)51-35(48)38-22-11-13-41(14-12-22)52(49,50)25-6-4-5-21(15-25)18-40-19-23-7-8-24(20-40)42(23)30-17-27-26(16-28(30)37)33(46)43(34(27)47)29-9-10-31(44)39-32(29)45;1-24(2,3)35-23(34)27-10-12-4-5-13(11-27)28(12)18-9-15-14(8-16(18)25)21(32)29(22(15)33)17-6-7-19(30)26-20(17)31/h4-6,15-17,22-24,29H,7-14,18-20H2,1-3H3,(H,38,48)(H,39,44,45);8-9,12-13,17H,4-7,10-11H2,1-3H3,(H,26,30,31)
• InChIKey: ZRGYJMXZFADOOS-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 282.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1225.34
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;tert-butyl N-[1-[3-[[8-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]phenyl]sulfonylpiperidin-4-yl]carbamate?

The IUPAC name of tert-butyl 8-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;tert-butyl N-[1-[3-[[8-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]phenyl]sulfonylpiperidin-4-yl]carbamate (CID 175737413) is tert-butyl 8-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;tert-butyl N-[1-[3-[[8-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]phenyl]sulfonylpiperidin-4-yl]carbamate.

What is the SMILES notation for tert-butyl 8-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;tert-butyl N-[1-[3-[[8-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]phenyl]sulfonylpiperidin-4-yl]carbamate?

The canonical SMILES for tert-butyl 8-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;tert-butyl N-[1-[3-[[8-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]phenyl]sulfonylpiperidin-4-yl]carbamate is CC(C)(C)OC(=O)N1CC2CCC(C1)N2c1cc2c(cc1F)C(=O)N(C1CCC(=O)NC1=O)C2=O.CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2cccc(CN3CC4CCC(C3)N4c3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)c2)CC1.

What is the InChIKey of tert-butyl 8-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;tert-butyl N-[1-[3-[[8-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]phenyl]sulfonylpiperidin-4-yl]carbamate?

The InChIKey is ZRGYJMXZFADOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H43FN6O8S.C24H27FN4O6/c1-36(2,3)51-35(48)38-22-11-13-41(14-12-22)52(49,50)25-6-4-5-21(15-25)18-40-19-23-7-8-24(20-40)42(23)30-17-27-26(16-28(30)37)33(46)43(34(27)47)29-9-10-31(44)39-32(29)45;1-24(2,3)35-23(34)27-10-12-4-5-13(11-27)28(12)18-9-15-14(8-16(18)25)21(32)29(22(15)33)17-6-7-19(30)26-20(17)31/h4-6,15-17,22-24,29H,7-14,18-20H2,1-3H3,(H,38,48)(H,39,44,45);8-9,12-13,17H,4-7,10-11H2,1-3H3,(H,26,30,31).

What are the key properties of tert-butyl 8-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;tert-butyl N-[1-[3-[[8-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]phenyl]sulfonylpiperidin-4-yl]carbamate?

tert-butyl 8-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;tert-butyl N-[1-[3-[[8-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]phenyl]sulfonylpiperidin-4-yl]carbamate has a molecular weight of 1225.34 g/mol, XLogP of 4.57, 9 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 8-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;tert-butyl N-[1-[3-[[8-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]phenyl]sulfonylpiperidin-4-yl]carbamate is sourced from PubChem (CID 175737413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).