2-[2-oxo-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethoxy]benzamide

C19H20F3N4O3+ — CID 9089580

IUPAC2-[2-oxo-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(=O)N1CCN(c2ccc(C(F)(F)F)c[nH+]2)CC1
InChIInChI=1S/C19H19F3N4O3/c20-19(21,22)13-5-6-16(24-11-13)25-7-9-26(10-8-25)17(27)12-29-15-4-2-1-3-14(15)18(23)28/h1-6,11H,7-10,12H2,(H2,23,28)/p+1
InChIKeyADFXASYRVVMPIF-UHFFFAOYSA-O
MW409.39 g/mol
LogP1.35
Rot. Bonds5

About 2-[2-oxo-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethoxy]benzamide

2-[2-oxo-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethoxy]benzamide (PubChem CID 9089580) has the molecular formula C19H20F3N4O3+ and a molecular weight of 409.39 g/mol. Its IUPAC name is 2-[2-oxo-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethoxy]benzamide.

Molecular Properties

Compound Name2-[2-oxo-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethoxy]benzamide
PubChem CID9089580
Molecular FormulaC19H20F3N4O3+
Molecular Weight409.39 g/mol
Exact Mass409.15
IUPAC Name2-[2-oxo-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(=O)N1CCN(c2ccc(C(F)(F)F)c[nH+]2)CC1
InChIInChI=1S/C19H19F3N4O3/c20-19(21,22)13-5-6-16(24-11-13)25-7-9-26(10-8-25)17(27)12-29-15-4-2-1-3-14(15)18(23)28/h1-6,11H,7-10,12H2,(H2,23,28)/p+1
InChIKeyADFXASYRVVMPIF-UHFFFAOYSA-O
XLogP1.35
TPSA90.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-oxo-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethoxy]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-[2-oxo-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethoxy]phenyl]propan-1-one
CID 2671608
(2-ethoxy-3-pyridinyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone
CID 2466508
1-[2-oxo-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethyl]pyridin-2-one
CID 8851391
2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethoxy]benzamide
CID 55413269
2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethoxy]benzamide
CID 107224218
2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]benzamide
CID 38859014
1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 2420338
2-(1,2-benzoxazol-3-yl)-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethanone
CID 9426844
2-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethoxy]benzamide
CID 38858953
2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]benzamide
CID 7283918
2-(2,2,2-trifluoroethoxy)benzamide;hydrochloride
CID 160645363
2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]benzamide
CID 7283920

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethoxy]benzamide?
The IUPAC name of 2-[2-oxo-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethoxy]benzamide (CID 9089580) is 2-[2-oxo-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethoxy]benzamide.
What is the SMILES notation for 2-[2-oxo-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethoxy]benzamide?
The canonical SMILES for 2-[2-oxo-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethoxy]benzamide is NC(=O)c1ccccc1OCC(=O)N1CCN(c2ccc(C(F)(F)F)c[nH+]2)CC1.
What is the InChIKey of 2-[2-oxo-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethoxy]benzamide?
The InChIKey is ADFXASYRVVMPIF-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H19F3N4O3/c20-19(21,22)13-5-6-16(24-11-13)25-7-9-26(10-8-25)17(27)12-29-15-4-2-1-3-14(15)18(23)28/h1-6,11H,7-10,12H2,(H2,23,28)/p+1.
What are the key properties of 2-[2-oxo-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethoxy]benzamide?
2-[2-oxo-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethoxy]benzamide has a molecular weight of 409.39 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethoxy]benzamide is sourced from PubChem (CID 9089580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).