1-(2,4-difluorophenyl)-3-propylpiperazine-2,5-dione

C13H14F2N2O2 — CID 64957820

IUPAC1-(2,4-difluorophenyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(c2ccc(F)cc2F)C1=O
InChIInChI=1S/C13H14F2N2O2/c1-2-3-10-13(19)17(7-12(18)16-10)11-5-4-8(14)6-9(11)15/h4-6,10H,2-3,7H2,1H3,(H,16,18)
InChIKeyYSKOOWRRGZRFMP-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.60
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-propylpiperazine-2,5-dione

1-(2,4-difluorophenyl)-3-propylpiperazine-2,5-dione (PubChem CID 64957820) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-propylpiperazine-2,5-dione
PubChem CID64957820
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name1-(2,4-difluorophenyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(c2ccc(F)cc2F)C1=O
InChIInChI=1S/C13H14F2N2O2/c1-2-3-10-13(19)17(7-12(18)16-10)11-5-4-8(14)6-9(11)15/h4-6,10H,2-3,7H2,1H3,(H,16,18)
InChIKeyYSKOOWRRGZRFMP-UHFFFAOYSA-N
XLogP1.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-(2,4-difluorophenyl)-3-propylpiperazine-2,5-dione (CID 64957820) is 1-(2,4-difluorophenyl)-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-propylpiperazine-2,5-dione is CCCC1NC(=O)CN(c2ccc(F)cc2F)C1=O.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-propylpiperazine-2,5-dione?
The InChIKey is YSKOOWRRGZRFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c1-2-3-10-13(19)17(7-12(18)16-10)11-5-4-8(14)6-9(11)15/h4-6,10H,2-3,7H2,1H3,(H,16,18).
What are the key properties of 1-(2,4-difluorophenyl)-3-propylpiperazine-2,5-dione?
1-(2,4-difluorophenyl)-3-propylpiperazine-2,5-dione has a molecular weight of 268.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64957820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).