pyridin-2-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

C17H16F3N3O — CID 2604307

IUPACpyridin-2-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccn1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H16F3N3O/c18-17(19,20)13-4-3-5-14(12-13)22-8-10-23(11-9-22)16(24)15-6-1-2-7-21-15/h1-7,12H,8-11H2
InChIKeyAMUXGTJJWGGBIQ-UHFFFAOYSA-N
MW335.33 g/mol
LogP3.06
Rot. Bonds2

About pyridin-2-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

pyridin-2-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 2604307) has the molecular formula C17H16F3N3O and a molecular weight of 335.33 g/mol. Its IUPAC name is pyridin-2-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-2-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID2604307
Molecular FormulaC17H16F3N3O
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC Namepyridin-2-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccn1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H16F3N3O/c18-17(19,20)13-4-3-5-14(12-13)22-8-10-23(11-9-22)16(24)15-6-1-2-7-21-15/h1-7,12H,8-11H2
InChIKeyAMUXGTJJWGGBIQ-UHFFFAOYSA-N
XLogP3.06
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze pyridin-2-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone 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 pyridin-2-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of pyridin-2-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 2604307) is pyridin-2-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for pyridin-2-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for pyridin-2-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is O=C(c1ccccn1)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of pyridin-2-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is AMUXGTJJWGGBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O/c18-17(19,20)13-4-3-5-14(12-13)22-8-10-23(11-9-22)16(24)15-6-1-2-7-21-15/h1-7,12H,8-11H2.
What are the key properties of pyridin-2-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
pyridin-2-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 335.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 2604307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).