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

C14H13F3N2O2 — CID 106210978

IUPAC6-phenyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione
SMILESO=C1NCC(=O)N(C2(C(F)(F)F)CC2)C1c1ccccc1
InChIInChI=1S/C14H13F3N2O2/c15-14(16,17)13(6-7-13)19-10(20)8-18-12(21)11(19)9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,18,21)
InChIKeyYLCSABWEUNOCMS-UHFFFAOYSA-N
MW298.26 g/mol
LogP1.78
Rot. Bonds2

About 6-phenyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione

6-phenyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione (PubChem CID 106210978) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is 6-phenyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-phenyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione
PubChem CID106210978
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name6-phenyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione
SMILESO=C1NCC(=O)N(C2(C(F)(F)F)CC2)C1c1ccccc1
InChIInChI=1S/C14H13F3N2O2/c15-14(16,17)13(6-7-13)19-10(20)8-18-12(21)11(19)9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,18,21)
InChIKeyYLCSABWEUNOCMS-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione?
The IUPAC name of 6-phenyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione (CID 106210978) is 6-phenyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione.
What is the SMILES notation for 6-phenyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione?
The canonical SMILES for 6-phenyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione is O=C1NCC(=O)N(C2(C(F)(F)F)CC2)C1c1ccccc1.
What is the InChIKey of 6-phenyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione?
The InChIKey is YLCSABWEUNOCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c15-14(16,17)13(6-7-13)19-10(20)8-18-12(21)11(19)9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,18,21).
What are the key properties of 6-phenyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione?
6-phenyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione has a molecular weight of 298.26 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione is sourced from PubChem (CID 106210978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).