2-phenoxy-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone

C17H17F3N4O2 — CID 91892344

IUPAC2-phenoxy-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)14-10-15(22-12-21-14)23-6-8-24(9-7-23)16(25)11-26-13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2
InChIKeyPBGQVJHFNPFIBV-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.22
Rot. Bonds4

About 2-phenoxy-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone

2-phenoxy-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 91892344) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is 2-phenoxy-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenoxy-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID91892344
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC Name2-phenoxy-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)14-10-15(22-12-21-14)23-6-8-24(9-7-23)16(25)11-26-13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2
InChIKeyPBGQVJHFNPFIBV-UHFFFAOYSA-N
XLogP2.22
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-phenoxy-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]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-phenoxy-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-phenoxy-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone (CID 91892344) is 2-phenoxy-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-phenoxy-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-phenoxy-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone is O=C(COc1ccccc1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of 2-phenoxy-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is PBGQVJHFNPFIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c18-17(19,20)14-10-15(22-12-21-14)23-6-8-24(9-7-23)16(25)11-26-13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2.
What are the key properties of 2-phenoxy-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
2-phenoxy-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 366.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 91892344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).