[4-[(2-methylphenoxy)methyl]thiophen-2-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone

C25H25F3N2O2S — CID 19498840

About [4-[(2-methylphenoxy)methyl]thiophen-2-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone

[4-[(2-methylphenoxy)methyl]thiophen-2-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone (PubChem CID 19498840) has the molecular formula C25H25F3N2O2S and a molecular weight of 474.55 g/mol. Its IUPAC name is [4-[(2-methylphenoxy)methyl]thiophen-2-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [4-[(2-methylphenoxy)methyl]thiophen-2-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
• PubChem CID: 19498840
• Molecular Formula: C25H25F3N2O2S
• Molecular Weight: 474.55 g/mol
• Exact Mass: 474.16
• IUPAC Name: [4-[(2-methylphenoxy)methyl]thiophen-2-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
• SMILES: Cc1ccccc1OCc1csc(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1
• InChI: InChI=1S/C25H25F3N2O2S/c1-18-5-2-3-8-22(18)32-16-20-14-23(33-17-20)24(31)30-11-9-29(10-12-30)15-19-6-4-7-21(13-19)25(26,27)28/h2-8,13-14,17H,9-12,15-16H2,1H3
• InChIKey: UGOMBGZUVYKKID-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 32.78 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.55
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylphenoxy)methyl]thiophen-2-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?

The IUPAC name of [4-[(2-methylphenoxy)methyl]thiophen-2-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone (CID 19498840) is [4-[(2-methylphenoxy)methyl]thiophen-2-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone.

What is the SMILES notation for [4-[(2-methylphenoxy)methyl]thiophen-2-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?

The canonical SMILES for [4-[(2-methylphenoxy)methyl]thiophen-2-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone is Cc1ccccc1OCc1csc(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1.

What is the InChIKey of [4-[(2-methylphenoxy)methyl]thiophen-2-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?

The InChIKey is UGOMBGZUVYKKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2O2S/c1-18-5-2-3-8-22(18)32-16-20-14-23(33-17-20)24(31)30-11-9-29(10-12-30)15-19-6-4-7-21(13-19)25(26,27)28/h2-8,13-14,17H,9-12,15-16H2,1H3.

What are the key properties of [4-[(2-methylphenoxy)methyl]thiophen-2-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?

[4-[(2-methylphenoxy)methyl]thiophen-2-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone has a molecular weight of 474.55 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(2-methylphenoxy)methyl]thiophen-2-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19498840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).