2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide

C21H28FN3O2S — CID 8972253

About 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide

2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 8972253) has the molecular formula C21H28FN3O2S and a molecular weight of 405.54 g/mol. Its IUPAC name is 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
• PubChem CID: 8972253
• Molecular Formula: C21H28FN3O2S
• Molecular Weight: 405.54 g/mol
• Exact Mass: 405.19
• IUPAC Name: 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
• SMILES: COc1ccc(F)cc1CN1CCN(CC(=O)N(C)Cc2sccc2C)CC1
• InChI: InChI=1S/C21H28FN3O2S/c1-16-6-11-28-20(16)14-23(2)21(26)15-25-9-7-24(8-10-25)13-17-12-18(22)4-5-19(17)27-3/h4-6,11-12H,7-10,13-15H2,1-3H3
• InChIKey: LIVBIKDLZCGMCM-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 36.02 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.54
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide?

The IUPAC name of 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 8972253) is 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide.

What is the SMILES notation for 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide?

The canonical SMILES for 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide is COc1ccc(F)cc1CN1CCN(CC(=O)N(C)Cc2sccc2C)CC1.

What is the InChIKey of 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide?

The InChIKey is LIVBIKDLZCGMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O2S/c1-16-6-11-28-20(16)14-23(2)21(26)15-25-9-7-24(8-10-25)13-17-12-18(22)4-5-19(17)27-3/h4-6,11-12H,7-10,13-15H2,1-3H3.

What are the key properties of 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide?

2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 405.54 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 8972253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).