2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

C26H34ClN3O2 — CID 55490221

About 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (PubChem CID 55490221) has the molecular formula C26H34ClN3O2 and a molecular weight of 456.03 g/mol. Its IUPAC name is 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
• PubChem CID: 55490221
• Molecular Formula: C26H34ClN3O2
• Molecular Weight: 456.03 g/mol
• Exact Mass: 455.23
• IUPAC Name: 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
• SMILES: CC(NC(=O)CN1CCN(CCOc2ccccc2Cl)CC1)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C26H34ClN3O2/c1-20(22-11-10-21-6-2-3-7-23(21)18-22)28-26(31)19-30-14-12-29(13-15-30)16-17-32-25-9-5-4-8-24(25)27/h4-5,8-11,18,20H,2-3,6-7,12-17,19H2,1H3,(H,28,31)
• InChIKey: AVAQXZUWQTUWPD-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 44.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.03
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?

The IUPAC name of 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (CID 55490221) is 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.

What is the SMILES notation for 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?

The canonical SMILES for 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is CC(NC(=O)CN1CCN(CCOc2ccccc2Cl)CC1)c1ccc2c(c1)CCCC2.

What is the InChIKey of 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?

The InChIKey is AVAQXZUWQTUWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClN3O2/c1-20(22-11-10-21-6-2-3-7-23(21)18-22)28-26(31)19-30-14-12-29(13-15-30)16-17-32-25-9-5-4-8-24(25)27/h4-5,8-11,18,20H,2-3,6-7,12-17,19H2,1H3,(H,28,31).

What are the key properties of 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?

2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide has a molecular weight of 456.03 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is sourced from PubChem (CID 55490221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).