tert-butyl 2-[(2R,6S)-1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxy-2,6-dimethylpiperidin-4-yl]acetate

C24H34FN3O5 — CID 156505504

About tert-butyl 2-[(2R,6S)-1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxy-2,6-dimethylpiperidin-4-yl]acetate

tert-butyl 2-[(2R,6S)-1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxy-2,6-dimethylpiperidin-4-yl]acetate (PubChem CID 156505504) has the molecular formula C24H34FN3O5 and a molecular weight of 463.55 g/mol. Its IUPAC name is tert-butyl 2-[(2R,6S)-1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxy-2,6-dimethylpiperidin-4-yl]acetate.

Molecular Properties

• Compound Name: tert-butyl 2-[(2R,6S)-1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxy-2,6-dimethylpiperidin-4-yl]acetate
• PubChem CID: 156505504
• Molecular Formula: C24H34FN3O5
• Molecular Weight: 463.55 g/mol
• Exact Mass: 463.25
• IUPAC Name: tert-butyl 2-[(2R,6S)-1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxy-2,6-dimethylpiperidin-4-yl]acetate
• SMILES: C[C@@H]1CC(O)(CC(=O)OC(C)(C)C)C[C@H](C)N1c1ccc(NC2CCC(=O)NC2=O)cc1F
• InChI: InChI=1S/C24H34FN3O5/c1-14-11-24(32,13-21(30)33-23(3,4)5)12-15(2)28(14)19-8-6-16(10-17(19)25)26-18-7-9-20(29)27-22(18)31/h6,8,10,14-15,18,26,32H,7,9,11-13H2,1-5H3,(H,27,29,31)/t14-,15+,18?,24?
• InChIKey: KJYXIMZJZGFGMM-RHIUXYQISA-N
• XLogP: 2.88
• TPSA: 107.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.55
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2R,6S)-1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxy-2,6-dimethylpiperidin-4-yl]acetate?

The IUPAC name of tert-butyl 2-[(2R,6S)-1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxy-2,6-dimethylpiperidin-4-yl]acetate (CID 156505504) is tert-butyl 2-[(2R,6S)-1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxy-2,6-dimethylpiperidin-4-yl]acetate.

What is the SMILES notation for tert-butyl 2-[(2R,6S)-1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxy-2,6-dimethylpiperidin-4-yl]acetate?

The canonical SMILES for tert-butyl 2-[(2R,6S)-1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxy-2,6-dimethylpiperidin-4-yl]acetate is C[C@@H]1CC(O)(CC(=O)OC(C)(C)C)C[C@H](C)N1c1ccc(NC2CCC(=O)NC2=O)cc1F.

What is the InChIKey of tert-butyl 2-[(2R,6S)-1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxy-2,6-dimethylpiperidin-4-yl]acetate?

The InChIKey is KJYXIMZJZGFGMM-RHIUXYQISA-N. The full InChI is InChI=1S/C24H34FN3O5/c1-14-11-24(32,13-21(30)33-23(3,4)5)12-15(2)28(14)19-8-6-16(10-17(19)25)26-18-7-9-20(29)27-22(18)31/h6,8,10,14-15,18,26,32H,7,9,11-13H2,1-5H3,(H,27,29,31)/t14-,15+,18?,24?.

What are the key properties of tert-butyl 2-[(2R,6S)-1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxy-2,6-dimethylpiperidin-4-yl]acetate?

tert-butyl 2-[(2R,6S)-1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxy-2,6-dimethylpiperidin-4-yl]acetate has a molecular weight of 463.55 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[(2R,6S)-1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxy-2,6-dimethylpiperidin-4-yl]acetate is sourced from PubChem (CID 156505504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).