2-amino-1-[4-[3-fluoro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone

C14H15F4N3O2 — CID 68777546

IUPAC2-amino-1-[4-[3-fluoro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
SMILESNCC(=O)N1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H15F4N3O2/c15-11-6-9(5-10(7-11)14(16,17)18)13(23)21-3-1-20(2-4-21)12(22)8-19/h5-7H,1-4,8,19H2
InChIKeySQXNSUFJJZKHDX-UHFFFAOYSA-N
MW333.29 g/mol
LogP1.09
Rot. Bonds2

About 2-amino-1-[4-[3-fluoro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone

2-amino-1-[4-[3-fluoro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone (PubChem CID 68777546) has the molecular formula C14H15F4N3O2 and a molecular weight of 333.29 g/mol. Its IUPAC name is 2-amino-1-[4-[3-fluoro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-[3-fluoro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
PubChem CID68777546
Molecular FormulaC14H15F4N3O2
Molecular Weight333.29 g/mol
Exact Mass333.11
IUPAC Name2-amino-1-[4-[3-fluoro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
SMILESNCC(=O)N1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H15F4N3O2/c15-11-6-9(5-10(7-11)14(16,17)18)13(23)21-3-1-20(2-4-21)12(22)8-19/h5-7H,1-4,8,19H2
InChIKeySQXNSUFJJZKHDX-UHFFFAOYSA-N
XLogP1.09
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-[4-[3-fluoro-5-(trifluoromethyl)benzoyl]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

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[3-fluoro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-[3-fluoro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone (CID 68777546) is 2-amino-1-[4-[3-fluoro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-[3-fluoro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-[3-fluoro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone is NCC(=O)N1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-amino-1-[4-[3-fluoro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone?
The InChIKey is SQXNSUFJJZKHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4N3O2/c15-11-6-9(5-10(7-11)14(16,17)18)13(23)21-3-1-20(2-4-21)12(22)8-19/h5-7H,1-4,8,19H2.
What are the key properties of 2-amino-1-[4-[3-fluoro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone?
2-amino-1-[4-[3-fluoro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone has a molecular weight of 333.29 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[3-fluoro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 68777546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).