2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]acetamide

C27H26F6N4O3 — CID 156541629

About 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]acetamide

2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]acetamide (PubChem CID 156541629) has the molecular formula C27H26F6N4O3 and a molecular weight of 568.52 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]acetamide
• PubChem CID: 156541629
• Molecular Formula: C27H26F6N4O3
• Molecular Weight: 568.52 g/mol
• Exact Mass: 568.19
• IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]acetamide
• SMILES: CCOc1ccccc1O[C@@H]1CCCN(c2cncc(NC(=O)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C1
• InChI: InChI=1S/C27H26F6N4O3/c1-2-39-21-7-3-4-8-22(21)40-20-6-5-9-37(16-20)24-15-34-14-23(35-24)36-25(38)12-17-10-18(26(28,29)30)13-19(11-17)27(31,32)33/h3-4,7-8,10-11,13-15,20H,2,5-6,9,12,16H2,1H3,(H,35,36,38)/t20-/m1/s1
• InChIKey: GVUYVIXKUGZQMH-HXUWFJFHSA-N
• XLogP: 6.14
• TPSA: 76.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.52
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]acetamide?

The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]acetamide (CID 156541629) is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]acetamide.

What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]acetamide?

The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]acetamide is CCOc1ccccc1O[C@@H]1CCCN(c2cncc(NC(=O)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C1.

What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]acetamide?

The InChIKey is GVUYVIXKUGZQMH-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H26F6N4O3/c1-2-39-21-7-3-4-8-22(21)40-20-6-5-9-37(16-20)24-15-34-14-23(35-24)36-25(38)12-17-10-18(26(28,29)30)13-19(11-17)27(31,32)33/h3-4,7-8,10-11,13-15,20H,2,5-6,9,12,16H2,1H3,(H,35,36,38)/t20-/m1/s1.

What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]acetamide?

2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]acetamide has a molecular weight of 568.52 g/mol, XLogP of 6.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]acetamide is sourced from PubChem (CID 156541629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).