(3-fluoro-4-methylphenyl)-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]methanone

C20H19F4N3O3 — CID 55879030

About (3-fluoro-4-methylphenyl)-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]methanone

(3-fluoro-4-methylphenyl)-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]methanone (PubChem CID 55879030) has the molecular formula C20H19F4N3O3 and a molecular weight of 425.38 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: (3-fluoro-4-methylphenyl)-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]methanone
• PubChem CID: 55879030
• Molecular Formula: C20H19F4N3O3
• Molecular Weight: 425.38 g/mol
• Exact Mass: 425.14
• IUPAC Name: (3-fluoro-4-methylphenyl)-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]methanone
• SMILES: Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(OCC(F)(F)F)nc3)CC2)cc1F
• InChI: InChI=1S/C20H19F4N3O3/c1-13-2-3-14(10-16(13)21)18(28)26-6-8-27(9-7-26)19(29)15-4-5-17(25-11-15)30-12-20(22,23)24/h2-5,10-11H,6-9,12H2,1H3
• InChIKey: QRVMACSIUMNCNI-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 62.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.38
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]methanone?

The IUPAC name of (3-fluoro-4-methylphenyl)-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]methanone (CID 55879030) is (3-fluoro-4-methylphenyl)-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]methanone.

What is the SMILES notation for (3-fluoro-4-methylphenyl)-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]methanone?

The canonical SMILES for (3-fluoro-4-methylphenyl)-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(OCC(F)(F)F)nc3)CC2)cc1F.

What is the InChIKey of (3-fluoro-4-methylphenyl)-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]methanone?

The InChIKey is QRVMACSIUMNCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N3O3/c1-13-2-3-14(10-16(13)21)18(28)26-6-8-27(9-7-26)19(29)15-4-5-17(25-11-15)30-12-20(22,23)24/h2-5,10-11H,6-9,12H2,1H3.

What are the key properties of (3-fluoro-4-methylphenyl)-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]methanone?

(3-fluoro-4-methylphenyl)-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]methanone has a molecular weight of 425.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3-fluoro-4-methylphenyl)-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55879030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).