2-[4-[2-(5-chlorothiophen-2-yl)ethyl]piperazin-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone

C24H33ClN4O2S — CID 170962218

About 2-[4-[2-(5-chlorothiophen-2-yl)ethyl]piperazin-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone

2-[4-[2-(5-chlorothiophen-2-yl)ethyl]piperazin-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone (PubChem CID 170962218) has the molecular formula C24H33ClN4O2S and a molecular weight of 477.07 g/mol. Its IUPAC name is 2-[4-[2-(5-chlorothiophen-2-yl)ethyl]piperazin-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[4-[2-(5-chlorothiophen-2-yl)ethyl]piperazin-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone
• PubChem CID: 170962218
• Molecular Formula: C24H33ClN4O2S
• Molecular Weight: 477.07 g/mol
• Exact Mass: 476.20
• IUPAC Name: 2-[4-[2-(5-chlorothiophen-2-yl)ethyl]piperazin-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone
• SMILES: COc1ccccc1CN1CCN(C(=O)CN2CCN(CCc3ccc(Cl)s3)CC2)CC1
• InChI: InChI=1S/C24H33ClN4O2S/c1-31-22-5-3-2-4-20(22)18-27-14-16-29(17-15-27)24(30)19-28-12-10-26(11-13-28)9-8-21-6-7-23(25)32-21/h2-7H,8-19H2,1H3
• InChIKey: HVWUDMJWCKCPCY-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 39.26 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.07
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(5-chlorothiophen-2-yl)ethyl]piperazin-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone?

The IUPAC name of 2-[4-[2-(5-chlorothiophen-2-yl)ethyl]piperazin-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone (CID 170962218) is 2-[4-[2-(5-chlorothiophen-2-yl)ethyl]piperazin-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone.

What is the SMILES notation for 2-[4-[2-(5-chlorothiophen-2-yl)ethyl]piperazin-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone?

The canonical SMILES for 2-[4-[2-(5-chlorothiophen-2-yl)ethyl]piperazin-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone is COc1ccccc1CN1CCN(C(=O)CN2CCN(CCc3ccc(Cl)s3)CC2)CC1.

What is the InChIKey of 2-[4-[2-(5-chlorothiophen-2-yl)ethyl]piperazin-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone?

The InChIKey is HVWUDMJWCKCPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN4O2S/c1-31-22-5-3-2-4-20(22)18-27-14-16-29(17-15-27)24(30)19-28-12-10-26(11-13-28)9-8-21-6-7-23(25)32-21/h2-7H,8-19H2,1H3.

What are the key properties of 2-[4-[2-(5-chlorothiophen-2-yl)ethyl]piperazin-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone?

2-[4-[2-(5-chlorothiophen-2-yl)ethyl]piperazin-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone has a molecular weight of 477.07 g/mol, XLogP of 2.91, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-(5-chlorothiophen-2-yl)ethyl]piperazin-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 170962218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).