3-cyclopropyl-1-(2,6-difluorophenyl)piperazine-2,5-dione

C13H12F2N2O2 — CID 64959895

IUPAC3-cyclopropyl-1-(2,6-difluorophenyl)piperazine-2,5-dione
SMILESO=C1CN(c2c(F)cccc2F)C(=O)C(C2CC2)N1
InChIInChI=1S/C13H12F2N2O2/c14-8-2-1-3-9(15)12(8)17-6-10(18)16-11(13(17)19)7-4-5-7/h1-3,7,11H,4-6H2,(H,16,18)
InChIKeyMASOPALAPBKGNS-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.21
Rot. Bonds2

About 3-cyclopropyl-1-(2,6-difluorophenyl)piperazine-2,5-dione

3-cyclopropyl-1-(2,6-difluorophenyl)piperazine-2,5-dione (PubChem CID 64959895) has the molecular formula C13H12F2N2O2 and a molecular weight of 266.25 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2,6-difluorophenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(2,6-difluorophenyl)piperazine-2,5-dione
PubChem CID64959895
Molecular FormulaC13H12F2N2O2
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name3-cyclopropyl-1-(2,6-difluorophenyl)piperazine-2,5-dione
SMILESO=C1CN(c2c(F)cccc2F)C(=O)C(C2CC2)N1
InChIInChI=1S/C13H12F2N2O2/c14-8-2-1-3-9(15)12(8)17-6-10(18)16-11(13(17)19)7-4-5-7/h1-3,7,11H,4-6H2,(H,16,18)
InChIKeyMASOPALAPBKGNS-UHFFFAOYSA-N
XLogP1.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2,6-difluorophenyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(2,6-difluorophenyl)piperazine-2,5-dione (CID 64959895) is 3-cyclopropyl-1-(2,6-difluorophenyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(2,6-difluorophenyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(2,6-difluorophenyl)piperazine-2,5-dione is O=C1CN(c2c(F)cccc2F)C(=O)C(C2CC2)N1.
What is the InChIKey of 3-cyclopropyl-1-(2,6-difluorophenyl)piperazine-2,5-dione?
The InChIKey is MASOPALAPBKGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2/c14-8-2-1-3-9(15)12(8)17-6-10(18)16-11(13(17)19)7-4-5-7/h1-3,7,11H,4-6H2,(H,16,18).
What are the key properties of 3-cyclopropyl-1-(2,6-difluorophenyl)piperazine-2,5-dione?
3-cyclopropyl-1-(2,6-difluorophenyl)piperazine-2,5-dione has a molecular weight of 266.25 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2,6-difluorophenyl)piperazine-2,5-dione is sourced from PubChem (CID 64959895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).