3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]piperazine-2,5-dione

C14H13F3N2O2 — CID 64956925

IUPAC3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]piperazine-2,5-dione
SMILESO=C1CN(c2ccc(C(F)(F)F)cc2)C(=O)C(C2CC2)N1
InChIInChI=1S/C14H13F3N2O2/c15-14(16,17)9-3-5-10(6-4-9)19-7-11(20)18-12(13(19)21)8-1-2-8/h3-6,8,12H,1-2,7H2,(H,18,20)
InChIKeyFSRHEKSCZDSIEO-UHFFFAOYSA-N
MW298.26 g/mol
LogP1.95
Rot. Bonds2

About 3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]piperazine-2,5-dione

3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]piperazine-2,5-dione (PubChem CID 64956925) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is 3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]piperazine-2,5-dione
PubChem CID64956925
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]piperazine-2,5-dione
SMILESO=C1CN(c2ccc(C(F)(F)F)cc2)C(=O)C(C2CC2)N1
InChIInChI=1S/C14H13F3N2O2/c15-14(16,17)9-3-5-10(6-4-9)19-7-11(20)18-12(13(19)21)8-1-2-8/h3-6,8,12H,1-2,7H2,(H,18,20)
InChIKeyFSRHEKSCZDSIEO-UHFFFAOYSA-N
XLogP1.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-(4-fluoro-3-methylphenyl)piperazine-2,5-dione
CID 64969701
1-(3-bromo-4-fluorophenyl)-3-cyclopropylpiperazine-2,5-dione
CID 104781831
3-cyclopropyl-1-(3,5-dimethylphenyl)piperazine-2,5-dione
CID 64959039
3-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)piperazine-2,5-dione
CID 107580233
3-cyclopropyl-1-(2,6-difluorophenyl)piperazine-2,5-dione
CID 64959895
(3R)-3-hydroxy-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 154498751
1-(3-bromo-5-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione
CID 82859322
1-(4-bromophenyl)-3-cyclopropyl-1,4-diazepane-2,5-dione
CID 64962398
3-cyclopropyl-1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione
CID 64961091
4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 139668299
3-methylidene-1-[4-(trifluoromethyl)phenyl]azetidin-2-one
CID 125489925
5-hydroxy-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 54289121

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]piperazine-2,5-dione (CID 64956925) is 3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]piperazine-2,5-dione is O=C1CN(c2ccc(C(F)(F)F)cc2)C(=O)C(C2CC2)N1.
What is the InChIKey of 3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]piperazine-2,5-dione?
The InChIKey is FSRHEKSCZDSIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c15-14(16,17)9-3-5-10(6-4-9)19-7-11(20)18-12(13(19)21)8-1-2-8/h3-6,8,12H,1-2,7H2,(H,18,20).
What are the key properties of 3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]piperazine-2,5-dione?
3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]piperazine-2,5-dione has a molecular weight of 298.26 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]piperazine-2,5-dione is sourced from PubChem (CID 64956925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).