3-fluoro-N-[2-methyl-1-oxo-1-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide

C26H27FN4O3 — CID 110149957

About 3-fluoro-N-[2-methyl-1-oxo-1-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide

3-fluoro-N-[2-methyl-1-oxo-1-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide (PubChem CID 110149957) has the molecular formula C26H27FN4O3 and a molecular weight of 462.53 g/mol. Its IUPAC name is 3-fluoro-N-[2-methyl-1-oxo-1-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide.

Molecular Properties

• Compound Name: 3-fluoro-N-[2-methyl-1-oxo-1-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide
• PubChem CID: 110149957
• Molecular Formula: C26H27FN4O3
• Molecular Weight: 462.53 g/mol
• Exact Mass: 462.21
• IUPAC Name: 3-fluoro-N-[2-methyl-1-oxo-1-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide
• SMILES: CC(C)(NC(=O)c1cccc(F)c1)C(=O)N1CCCC(c2nccnc2Oc2ccccc2)C1
• InChI: InChI=1S/C26H27FN4O3/c1-26(2,30-23(32)18-8-6-10-20(27)16-18)25(33)31-15-7-9-19(17-31)22-24(29-14-13-28-22)34-21-11-4-3-5-12-21/h3-6,8,10-14,16,19H,7,9,15,17H2,1-2H3,(H,30,32)
• InChIKey: TWJBBJQDFBFWFE-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 84.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.53
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-methyl-1-oxo-1-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide?

The IUPAC name of 3-fluoro-N-[2-methyl-1-oxo-1-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide (CID 110149957) is 3-fluoro-N-[2-methyl-1-oxo-1-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide.

What is the SMILES notation for 3-fluoro-N-[2-methyl-1-oxo-1-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide?

The canonical SMILES for 3-fluoro-N-[2-methyl-1-oxo-1-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide is CC(C)(NC(=O)c1cccc(F)c1)C(=O)N1CCCC(c2nccnc2Oc2ccccc2)C1.

What is the InChIKey of 3-fluoro-N-[2-methyl-1-oxo-1-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide?

The InChIKey is TWJBBJQDFBFWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O3/c1-26(2,30-23(32)18-8-6-10-20(27)16-18)25(33)31-15-7-9-19(17-31)22-24(29-14-13-28-22)34-21-11-4-3-5-12-21/h3-6,8,10-14,16,19H,7,9,15,17H2,1-2H3,(H,30,32).

What are the key properties of 3-fluoro-N-[2-methyl-1-oxo-1-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide?

3-fluoro-N-[2-methyl-1-oxo-1-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide has a molecular weight of 462.53 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-N-[2-methyl-1-oxo-1-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide is sourced from PubChem (CID 110149957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).