2-(4-pyridin-2-ylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

C18H19F3N4O — CID 655692

IUPAC2-(4-pyridin-2-ylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCN(c2ccccn2)CC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H19F3N4O/c19-18(20,21)14-4-3-5-15(12-14)23-17(26)13-24-8-10-25(11-9-24)16-6-1-2-7-22-16/h1-7,12H,8-11,13H2,(H,23,26)
InChIKeyNPLJUOZEAUITGO-UHFFFAOYSA-N
MW364.37 g/mol
LogP2.86
Rot. Bonds4

About 2-(4-pyridin-2-ylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(4-pyridin-2-ylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 655692) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is 2-(4-pyridin-2-ylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-pyridin-2-ylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID655692
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC Name2-(4-pyridin-2-ylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCN(c2ccccn2)CC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H19F3N4O/c19-18(20,21)14-4-3-5-15(12-14)23-17(26)13-24-8-10-25(11-9-24)16-6-1-2-7-22-16/h1-7,12H,8-11,13H2,(H,23,26)
InChIKeyNPLJUOZEAUITGO-UHFFFAOYSA-N
XLogP2.86
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-pyridin-2-ylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-2-ylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-pyridin-2-ylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 655692) is 2-(4-pyridin-2-ylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-pyridin-2-ylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-pyridin-2-ylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CN1CCN(c2ccccn2)CC1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(4-pyridin-2-ylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is NPLJUOZEAUITGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c19-18(20,21)14-4-3-5-15(12-14)23-17(26)13-24-8-10-25(11-9-24)16-6-1-2-7-22-16/h1-7,12H,8-11,13H2,(H,23,26).
What are the key properties of 2-(4-pyridin-2-ylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(4-pyridin-2-ylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 364.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-2-ylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 655692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).