2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C15H20F3N3O2 — CID 4799626

IUPAC2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOc1cccc(N2CCN(CC(=O)NCC(F)(F)F)CC2)c1
InChIInChI=1S/C15H20F3N3O2/c1-23-13-4-2-3-12(9-13)21-7-5-20(6-8-21)10-14(22)19-11-15(16,17)18/h2-4,9H,5-8,10-11H2,1H3,(H,19,22)
InChIKeyOGYMTHXOLCPQRT-UHFFFAOYSA-N
MW331.34 g/mol
LogP1.50
Rot. Bonds5

About 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 4799626) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID4799626
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOc1cccc(N2CCN(CC(=O)NCC(F)(F)F)CC2)c1
InChIInChI=1S/C15H20F3N3O2/c1-23-13-4-2-3-12(9-13)21-7-5-20(6-8-21)10-14(22)19-11-15(16,17)18/h2-4,9H,5-8,10-11H2,1H3,(H,19,22)
InChIKeyOGYMTHXOLCPQRT-UHFFFAOYSA-N
XLogP1.50
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 4799626) is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is COc1cccc(N2CCN(CC(=O)NCC(F)(F)F)CC2)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is OGYMTHXOLCPQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-23-13-4-2-3-12(9-13)21-7-5-20(6-8-21)10-14(22)19-11-15(16,17)18/h2-4,9H,5-8,10-11H2,1H3,(H,19,22).
What are the key properties of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 331.34 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 4799626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).