3-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]oxolan-2-one

C15H16ClF3N2O2 — CID 171915918

IUPAC3-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]oxolan-2-one
SMILESO=C1OCCC1N1CCN(c2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H16ClF3N2O2/c16-12-2-1-10(9-11(12)15(17,18)19)20-4-6-21(7-5-20)13-3-8-23-14(13)22/h1-2,9,13H,3-8H2
InChIKeyBGCKRGDSONCEBZ-UHFFFAOYSA-N
MW348.75 g/mol
LogP2.80
Rot. Bonds2

About 3-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]oxolan-2-one

3-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]oxolan-2-one (PubChem CID 171915918) has the molecular formula C15H16ClF3N2O2 and a molecular weight of 348.75 g/mol. Its IUPAC name is 3-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name3-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]oxolan-2-one
PubChem CID171915918
Molecular FormulaC15H16ClF3N2O2
Molecular Weight348.75 g/mol
Exact Mass348.09
IUPAC Name3-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]oxolan-2-one
SMILESO=C1OCCC1N1CCN(c2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H16ClF3N2O2/c16-12-2-1-10(9-11(12)15(17,18)19)20-4-6-21(7-5-20)13-3-8-23-14(13)22/h1-2,9,13H,3-8H2
InChIKeyBGCKRGDSONCEBZ-UHFFFAOYSA-N
XLogP2.80
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.75
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]oxolan-2-one 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 3-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]oxolan-2-one?
The IUPAC name of 3-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]oxolan-2-one (CID 171915918) is 3-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]oxolan-2-one.
What is the SMILES notation for 3-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]oxolan-2-one?
The canonical SMILES for 3-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]oxolan-2-one is O=C1OCCC1N1CCN(c2ccc(Cl)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 3-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]oxolan-2-one?
The InChIKey is BGCKRGDSONCEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N2O2/c16-12-2-1-10(9-11(12)15(17,18)19)20-4-6-21(7-5-20)13-3-8-23-14(13)22/h1-2,9,13H,3-8H2.
What are the key properties of 3-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]oxolan-2-one?
3-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]oxolan-2-one has a molecular weight of 348.75 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]oxolan-2-one is sourced from PubChem (CID 171915918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).