2-hydroxy-1-[4-[[3-methyl-5-(trifluoromethyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone

C17H19F3N2O3 — CID 135128497

IUPAC2-hydroxy-1-[4-[[3-methyl-5-(trifluoromethyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone
SMILESCc1c(CN2CCN(C(=O)CO)CC2)oc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C17H19F3N2O3/c1-11-13-8-12(17(18,19)20)2-3-14(13)25-15(11)9-21-4-6-22(7-5-21)16(24)10-23/h2-3,8,23H,4-7,9-10H2,1H3
InChIKeyZJQOYZFNCKAXSZ-UHFFFAOYSA-N
MW356.34 g/mol
LogP2.40
Rot. Bonds3

About 2-hydroxy-1-[4-[[3-methyl-5-(trifluoromethyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone

2-hydroxy-1-[4-[[3-methyl-5-(trifluoromethyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 135128497) has the molecular formula C17H19F3N2O3 and a molecular weight of 356.34 g/mol. Its IUPAC name is 2-hydroxy-1-[4-[[3-methyl-5-(trifluoromethyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-[[3-methyl-5-(trifluoromethyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone
PubChem CID135128497
Molecular FormulaC17H19F3N2O3
Molecular Weight356.34 g/mol
Exact Mass356.13
IUPAC Name2-hydroxy-1-[4-[[3-methyl-5-(trifluoromethyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone
SMILESCc1c(CN2CCN(C(=O)CO)CC2)oc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C17H19F3N2O3/c1-11-13-8-12(17(18,19)20)2-3-14(13)25-15(11)9-21-4-6-22(7-5-21)16(24)10-23/h2-3,8,23H,4-7,9-10H2,1H3
InChIKeyZJQOYZFNCKAXSZ-UHFFFAOYSA-N
XLogP2.40
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-1-[4-[[3-methyl-5-(trifluoromethyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone 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-[(3,5-dichloro-1-benzofuran-2-yl)methyl]piperazin-1-yl]-2-hydroxyethanone
CID 135128457
2-hydroxy-1-[4-[[7-(trifluoromethyl)quinolin-2-yl]methyl]piperazin-1-yl]ethanone
CID 135128455
2-hydroxy-1-[4-[[7-(trifluoromethyl)quinolin-3-yl]methyl]piperazin-1-yl]ethanone
CID 135128472
[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone
CID 35614259
3-amino-1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 56720684
3-amino-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]butan-1-one
CID 119833273
3-amino-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119833272
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-[2-fluoro-5-(trifluoromethyl)phenoxy]ethanone
CID 22264713
tert-butyl 4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate
CID 118378621
1-[4-[[2-(diethylamino)-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone;ethane
CID 145187473
2-(methylamino)-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone;hydrochloride
CID 120703341
3-[5-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 56888216

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-[[3-methyl-5-(trifluoromethyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[4-[[3-methyl-5-(trifluoromethyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone (CID 135128497) is 2-hydroxy-1-[4-[[3-methyl-5-(trifluoromethyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[4-[[3-methyl-5-(trifluoromethyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[4-[[3-methyl-5-(trifluoromethyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone is Cc1c(CN2CCN(C(=O)CO)CC2)oc2ccc(C(F)(F)F)cc12.
What is the InChIKey of 2-hydroxy-1-[4-[[3-methyl-5-(trifluoromethyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is ZJQOYZFNCKAXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O3/c1-11-13-8-12(17(18,19)20)2-3-14(13)25-15(11)9-21-4-6-22(7-5-21)16(24)10-23/h2-3,8,23H,4-7,9-10H2,1H3.
What are the key properties of 2-hydroxy-1-[4-[[3-methyl-5-(trifluoromethyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone?
2-hydroxy-1-[4-[[3-methyl-5-(trifluoromethyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 356.34 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-[[3-methyl-5-(trifluoromethyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 135128497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).