6-fluoro-5-[4-[[1-[2-fluoro-4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2,3-dihydroisoindol-1-one;piperidine-2,6-dione

C44H47F2N5O5 — CID 178026532

About 6-fluoro-5-[4-[[1-[2-fluoro-4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2,3-dihydroisoindol-1-one;piperidine-2,6-dione

6-fluoro-5-[4-[[1-[2-fluoro-4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2,3-dihydroisoindol-1-one;piperidine-2,6-dione (PubChem CID 178026532) has the molecular formula C44H47F2N5O5 and a molecular weight of 763.89 g/mol. Its IUPAC name is 6-fluoro-5-[4-[[1-[2-fluoro-4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2,3-dihydroisoindol-1-one;piperidine-2,6-dione.

Molecular Properties

• Compound Name: 6-fluoro-5-[4-[[1-[2-fluoro-4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2,3-dihydroisoindol-1-one;piperidine-2,6-dione
• PubChem CID: 178026532
• Molecular Formula: C44H47F2N5O5
• Molecular Weight: 763.89 g/mol
• Exact Mass: 763.35
• IUPAC Name: 6-fluoro-5-[4-[[1-[2-fluoro-4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2,3-dihydroisoindol-1-one;piperidine-2,6-dione
• SMILES: O=C1CCCC(=O)N1.O=C1NCc2cc(N3CCN(CC4CCN(c5ccc(C6c7ccc(O)cc7OCC6c6ccccc6)cc5F)CC4)CC3)c(F)cc21
• InChI: InChI=1S/C39H40F2N4O3.C5H7NO2/c40-33-18-27(38-30-8-7-29(46)20-37(30)48-24-32(38)26-4-2-1-3-5-26)6-9-35(33)44-12-10-25(11-13-44)23-43-14-16-45(17-15-43)36-19-28-22-42-39(47)31(28)21-34(36)41;7-4-2-1-3-5(8)6-4/h1-9,18-21,25,32,38,46H,10-17,22-24H2,(H,42,47);1-3H2,(H,6,7,8)
• InChIKey: JWZWZPIVJDDVFU-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 114.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	763.89
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-[4-[[1-[2-fluoro-4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2,3-dihydroisoindol-1-one;piperidine-2,6-dione?

The IUPAC name of 6-fluoro-5-[4-[[1-[2-fluoro-4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2,3-dihydroisoindol-1-one;piperidine-2,6-dione (CID 178026532) is 6-fluoro-5-[4-[[1-[2-fluoro-4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2,3-dihydroisoindol-1-one;piperidine-2,6-dione.

What is the SMILES notation for 6-fluoro-5-[4-[[1-[2-fluoro-4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2,3-dihydroisoindol-1-one;piperidine-2,6-dione?

The canonical SMILES for 6-fluoro-5-[4-[[1-[2-fluoro-4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2,3-dihydroisoindol-1-one;piperidine-2,6-dione is O=C1CCCC(=O)N1.O=C1NCc2cc(N3CCN(CC4CCN(c5ccc(C6c7ccc(O)cc7OCC6c6ccccc6)cc5F)CC4)CC3)c(F)cc21.

What is the InChIKey of 6-fluoro-5-[4-[[1-[2-fluoro-4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2,3-dihydroisoindol-1-one;piperidine-2,6-dione?

The InChIKey is JWZWZPIVJDDVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H40F2N4O3.C5H7NO2/c40-33-18-27(38-30-8-7-29(46)20-37(30)48-24-32(38)26-4-2-1-3-5-26)6-9-35(33)44-12-10-25(11-13-44)23-43-14-16-45(17-15-43)36-19-28-22-42-39(47)31(28)21-34(36)41;7-4-2-1-3-5(8)6-4/h1-9,18-21,25,32,38,46H,10-17,22-24H2,(H,42,47);1-3H2,(H,6,7,8).

What are the key properties of 6-fluoro-5-[4-[[1-[2-fluoro-4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2,3-dihydroisoindol-1-one;piperidine-2,6-dione?

6-fluoro-5-[4-[[1-[2-fluoro-4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2,3-dihydroisoindol-1-one;piperidine-2,6-dione has a molecular weight of 763.89 g/mol, XLogP of 6.07, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-5-[4-[[1-[2-fluoro-4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2,3-dihydroisoindol-1-one;piperidine-2,6-dione is sourced from PubChem (CID 178026532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).