1-[6-(5-fluoropiperidin-3-yl)-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone

C21H24FN3O3 — CID 123983178

About 1-[6-(5-fluoropiperidin-3-yl)-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone

1-[6-(5-fluoropiperidin-3-yl)-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone (PubChem CID 123983178) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is 1-[6-(5-fluoropiperidin-3-yl)-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[6-(5-fluoropiperidin-3-yl)-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
• PubChem CID: 123983178
• Molecular Formula: C21H24FN3O3
• Molecular Weight: 385.44 g/mol
• Exact Mass: 385.18
• IUPAC Name: 1-[6-(5-fluoropiperidin-3-yl)-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
• SMILES: CC(=O)N1c2ccc(C3CNCC(F)C3)cc2N(C(=O)c2ccco2)CC1C
• InChI: InChI=1S/C21H24FN3O3/c1-13-12-24(21(27)20-4-3-7-28-20)19-9-15(16-8-17(22)11-23-10-16)5-6-18(19)25(13)14(2)26/h3-7,9,13,16-17,23H,8,10-12H2,1-2H3
• InChIKey: WNWABYPWEQTJFS-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 65.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.44
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[6-(5-fluoropiperidin-3-yl)-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?

The IUPAC name of 1-[6-(5-fluoropiperidin-3-yl)-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone (CID 123983178) is 1-[6-(5-fluoropiperidin-3-yl)-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone.

What is the SMILES notation for 1-[6-(5-fluoropiperidin-3-yl)-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?

The canonical SMILES for 1-[6-(5-fluoropiperidin-3-yl)-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone is CC(=O)N1c2ccc(C3CNCC(F)C3)cc2N(C(=O)c2ccco2)CC1C.

What is the InChIKey of 1-[6-(5-fluoropiperidin-3-yl)-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?

The InChIKey is WNWABYPWEQTJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-13-12-24(21(27)20-4-3-7-28-20)19-9-15(16-8-17(22)11-23-10-16)5-6-18(19)25(13)14(2)26/h3-7,9,13,16-17,23H,8,10-12H2,1-2H3.

What are the key properties of 1-[6-(5-fluoropiperidin-3-yl)-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?

1-[6-(5-fluoropiperidin-3-yl)-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone has a molecular weight of 385.44 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(5-fluoropiperidin-3-yl)-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone is sourced from PubChem (CID 123983178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).