3-[2-(4-benzoylpiperazin-1-yl)-1-hydroxy-2-oxoethyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide;3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide

C46H44F2N8O8 — CID 159592786

About 3-[2-(4-benzoylpiperazin-1-yl)-1-hydroxy-2-oxoethyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide;3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide

3-[2-(4-benzoylpiperazin-1-yl)-1-hydroxy-2-oxoethyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide;3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide (PubChem CID 159592786) has the molecular formula C46H44F2N8O8 and a molecular weight of 874.90 g/mol. Its IUPAC name is 3-[2-(4-benzoylpiperazin-1-yl)-1-hydroxy-2-oxoethyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide;3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide.

Molecular Properties

• Compound Name: 3-[2-(4-benzoylpiperazin-1-yl)-1-hydroxy-2-oxoethyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide;3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide
• PubChem CID: 159592786
• Molecular Formula: C46H44F2N8O8
• Molecular Weight: 874.90 g/mol
• Exact Mass: 874.33
• IUPAC Name: 3-[2-(4-benzoylpiperazin-1-yl)-1-hydroxy-2-oxoethyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide;3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide
• SMILES: CNC(=O)c1ccc(F)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12.CNC(=O)c1ccc(F)c2c(C(O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12
• InChI: InChI=1S/C23H23FN4O4.C23H21FN4O4/c2*1-25-21(30)15-7-8-17(24)18-16(13-26-19(15)18)20(29)23(32)28-11-9-27(10-12-28)22(31)14-5-3-2-4-6-14/h2-8,13,20,26,29H,9-12H2,1H3,(H,25,30);2-8,13,26H,9-12H2,1H3,(H,25,30)
• InChIKey: MKLJMBGPZINOCB-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 208.32 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	874.90
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-benzoylpiperazin-1-yl)-1-hydroxy-2-oxoethyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide;3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide?

The IUPAC name of 3-[2-(4-benzoylpiperazin-1-yl)-1-hydroxy-2-oxoethyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide;3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide (CID 159592786) is 3-[2-(4-benzoylpiperazin-1-yl)-1-hydroxy-2-oxoethyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide;3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide.

What is the SMILES notation for 3-[2-(4-benzoylpiperazin-1-yl)-1-hydroxy-2-oxoethyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide;3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide?

The canonical SMILES for 3-[2-(4-benzoylpiperazin-1-yl)-1-hydroxy-2-oxoethyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide;3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide is CNC(=O)c1ccc(F)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12.CNC(=O)c1ccc(F)c2c(C(O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12.

What is the InChIKey of 3-[2-(4-benzoylpiperazin-1-yl)-1-hydroxy-2-oxoethyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide;3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide?

The InChIKey is MKLJMBGPZINOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O4.C23H21FN4O4/c2*1-25-21(30)15-7-8-17(24)18-16(13-26-19(15)18)20(29)23(32)28-11-9-27(10-12-28)22(31)14-5-3-2-4-6-14/h2-8,13,20,26,29H,9-12H2,1H3,(H,25,30);2-8,13,26H,9-12H2,1H3,(H,25,30).

What are the key properties of 3-[2-(4-benzoylpiperazin-1-yl)-1-hydroxy-2-oxoethyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide;3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide?

3-[2-(4-benzoylpiperazin-1-yl)-1-hydroxy-2-oxoethyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide;3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide has a molecular weight of 874.90 g/mol, XLogP of 3.52, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(4-benzoylpiperazin-1-yl)-1-hydroxy-2-oxoethyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide;3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide is sourced from PubChem (CID 159592786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).