1-(2,3-difluorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione

C15H18F2N2O2 — CID 64963885

IUPAC1-(2,3-difluorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC)N(c2cccc(F)c2F)C1=O
InChIInChI=1S/C15H18F2N2O2/c1-3-6-10-15(21)19(11(4-2)14(20)18-10)12-8-5-7-9(16)13(12)17/h5,7-8,10-11H,3-4,6H2,1-2H3,(H,18,20)
InChIKeyPGCMWKGCUPSJBZ-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.37
Rot. Bonds4

About 1-(2,3-difluorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione

1-(2,3-difluorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione (PubChem CID 64963885) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione
PubChem CID64963885
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name1-(2,3-difluorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC)N(c2cccc(F)c2F)C1=O
InChIInChI=1S/C15H18F2N2O2/c1-3-6-10-15(21)19(11(4-2)14(20)18-10)12-8-5-7-9(16)13(12)17/h5,7-8,10-11H,3-4,6H2,1-2H3,(H,18,20)
InChIKeyPGCMWKGCUPSJBZ-UHFFFAOYSA-N
XLogP2.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64963920
6-ethyl-1-(4-fluorophenyl)-3-propylpiperazine-2,5-dione
CID 64957506
1-(2,5-dichlorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione
CID 64961750
1-(2,3-difluorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64963921
1-(4-chloro-2-fluorophenyl)-3,6-diethylpiperazine-2,5-dione
CID 64965262
6-ethyl-3-propyl-1-pyrimidin-5-ylpiperazine-2,5-dione
CID 107590252
1-(2,6-difluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64959896
3,6-diethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione
CID 64957876
1-(2-bromophenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64962473
6-ethyl-3-methyl-1-(2,3,5-trifluorophenyl)piperazine-2,5-dione
CID 64969738
1-tert-butyl-6-ethyl-3-propylpiperazine-2,5-dione
CID 64955942
3,6-diethyl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione
CID 114840985

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-(2,3-difluorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione (CID 64963885) is 1-(2,3-difluorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,3-difluorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,3-difluorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(CC)N(c2cccc(F)c2F)C1=O.
What is the InChIKey of 1-(2,3-difluorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione?
The InChIKey is PGCMWKGCUPSJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-3-6-10-15(21)19(11(4-2)14(20)18-10)12-8-5-7-9(16)13(12)17/h5,7-8,10-11H,3-4,6H2,1-2H3,(H,18,20).
What are the key properties of 1-(2,3-difluorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione?
1-(2,3-difluorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione has a molecular weight of 296.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64963885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).