tert-butyl 4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-5-yl]-3-fluoropiperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate;tert-butyl 4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-5-yl]-3-fluoropiperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate

C64H86F2N8O14 — CID 167540560

About tert-butyl 4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-5-yl]-3-fluoropiperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate;tert-butyl 4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-5-yl]-3-fluoropiperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate

tert-butyl 4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-5-yl]-3-fluoropiperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate;tert-butyl 4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-5-yl]-3-fluoropiperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate (PubChem CID 167540560) has the molecular formula C64H86F2N8O14 and a molecular weight of 1229.43 g/mol. Its IUPAC name is tert-butyl 4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-5-yl]-3-fluoropiperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate;tert-butyl 4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-5-yl]-3-fluoropiperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-5-yl]-3-fluoropiperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate;tert-butyl 4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-5-yl]-3-fluoropiperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate
• PubChem CID: 167540560
• Molecular Formula: C64H86F2N8O14
• Molecular Weight: 1229.43 g/mol
• Exact Mass: 1228.62
• IUPAC Name: tert-butyl 4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-5-yl]-3-fluoropiperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate;tert-butyl 4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-5-yl]-3-fluoropiperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCC(OC2CC(N3CCC(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5O)C(F)C3)C2)CC1.CC(C)(C)OC(=O)N1CCC(OC2CC(N3CCC(c4ccc5c(c4)C(O)N(C4CCC(=O)NC4=O)C5=O)C(F)C3)C2)CC1
• InChI: InChI=1S/2C32H43FN4O7/c2*1-32(2,3)44-31(42)35-11-8-20(9-12-35)43-21-15-19(16-21)36-13-10-22(25(33)17-36)18-4-5-23-24(14-18)30(41)37(29(23)40)26-6-7-27(38)34-28(26)39/h4-5,14,19-22,25-26,30,41H,6-13,15-17H2,1-3H3,(H,34,38,39);4-5,14,19-22,25-26,29,40H,6-13,15-17H2,1-3H3,(H,34,38,39)
• InChIKey: BDCGCKMIBNALNY-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 257.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1229.43
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-5-yl]-3-fluoropiperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate;tert-butyl 4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-5-yl]-3-fluoropiperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-5-yl]-3-fluoropiperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate;tert-butyl 4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-5-yl]-3-fluoropiperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate (CID 167540560) is tert-butyl 4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-5-yl]-3-fluoropiperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate;tert-butyl 4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-5-yl]-3-fluoropiperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-5-yl]-3-fluoropiperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate;tert-butyl 4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-5-yl]-3-fluoropiperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-5-yl]-3-fluoropiperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate;tert-butyl 4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-5-yl]-3-fluoropiperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(OC2CC(N3CCC(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5O)C(F)C3)C2)CC1.CC(C)(C)OC(=O)N1CCC(OC2CC(N3CCC(c4ccc5c(c4)C(O)N(C4CCC(=O)NC4=O)C5=O)C(F)C3)C2)CC1.

What is the InChIKey of tert-butyl 4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-5-yl]-3-fluoropiperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate;tert-butyl 4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-5-yl]-3-fluoropiperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate?

The InChIKey is BDCGCKMIBNALNY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H43FN4O7/c2*1-32(2,3)44-31(42)35-11-8-20(9-12-35)43-21-15-19(16-21)36-13-10-22(25(33)17-36)18-4-5-23-24(14-18)30(41)37(29(23)40)26-6-7-27(38)34-28(26)39/h4-5,14,19-22,25-26,30,41H,6-13,15-17H2,1-3H3,(H,34,38,39);4-5,14,19-22,25-26,29,40H,6-13,15-17H2,1-3H3,(H,34,38,39).

What are the key properties of tert-butyl 4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-5-yl]-3-fluoropiperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate;tert-butyl 4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-5-yl]-3-fluoropiperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate?

tert-butyl 4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-5-yl]-3-fluoropiperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate;tert-butyl 4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-5-yl]-3-fluoropiperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate has a molecular weight of 1229.43 g/mol, XLogP of 6.03, 10 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-5-yl]-3-fluoropiperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate;tert-butyl 4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-5-yl]-3-fluoropiperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 167540560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).