N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide

C26H27F3N4O3 — CID 170442147

About N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 170442147) has the molecular formula C26H27F3N4O3 and a molecular weight of 500.52 g/mol. Its IUPAC name is N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
• PubChem CID: 170442147
• Molecular Formula: C26H27F3N4O3
• Molecular Weight: 500.52 g/mol
• Exact Mass: 500.20
• IUPAC Name: N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
• SMILES: CCOc1ccccc1OC1CCCN(c2cncc(NC(=O)Cc3cccc(C(F)(F)F)c3)n2)C1
• InChI: InChI=1S/C26H27F3N4O3/c1-2-35-21-10-3-4-11-22(21)36-20-9-6-12-33(17-20)24-16-30-15-23(31-24)32-25(34)14-18-7-5-8-19(13-18)26(27,28)29/h3-5,7-8,10-11,13,15-16,20H,2,6,9,12,14,17H2,1H3,(H,31,32,34)
• InChIKey: UYQBMQRZHZEVOE-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 76.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.52
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?

The IUPAC name of N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 170442147) is N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide.

What is the SMILES notation for N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?

The canonical SMILES for N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide is CCOc1ccccc1OC1CCCN(c2cncc(NC(=O)Cc3cccc(C(F)(F)F)c3)n2)C1.

What is the InChIKey of N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?

The InChIKey is UYQBMQRZHZEVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O3/c1-2-35-21-10-3-4-11-22(21)36-20-9-6-12-33(17-20)24-16-30-15-23(31-24)32-25(34)14-18-7-5-8-19(13-18)26(27,28)29/h3-5,7-8,10-11,13,15-16,20H,2,6,9,12,14,17H2,1H3,(H,31,32,34).

What are the key properties of N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?

N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 500.52 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 170442147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).