6-ethyl-1-(4-fluorophenyl)-3-propylpiperazine-2,5-dione

C15H19FN2O2 — CID 64957506

IUPAC6-ethyl-1-(4-fluorophenyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C15H19FN2O2/c1-3-5-12-15(20)18(13(4-2)14(19)17-12)11-8-6-10(16)7-9-11/h6-9,12-13H,3-5H2,1-2H3,(H,17,19)
InChIKeyWBWIZEZZDZGBGG-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.24
Rot. Bonds4

About 6-ethyl-1-(4-fluorophenyl)-3-propylpiperazine-2,5-dione

6-ethyl-1-(4-fluorophenyl)-3-propylpiperazine-2,5-dione (PubChem CID 64957506) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 6-ethyl-1-(4-fluorophenyl)-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-(4-fluorophenyl)-3-propylpiperazine-2,5-dione
PubChem CID64957506
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name6-ethyl-1-(4-fluorophenyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C15H19FN2O2/c1-3-5-12-15(20)18(13(4-2)14(19)17-12)11-8-6-10(16)7-9-11/h6-9,12-13H,3-5H2,1-2H3,(H,17,19)
InChIKeyWBWIZEZZDZGBGG-UHFFFAOYSA-N
XLogP2.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-3-propyl-1-pyrimidin-5-ylpiperazine-2,5-dione
CID 107590252
1-(2,3-difluorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione
CID 64963885
3,6-diethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione
CID 64962224
3,6-diethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione
CID 64957876
1-[4-(dimethylamino)phenyl]-3,6-diethylpiperazine-2,5-dione
CID 64960932
1-(3-chloro-4-fluorophenyl)-3,6-diethylpiperazine-2,5-dione
CID 64962986
6-methyl-1-(4-methylphenyl)-3-propylpiperazine-2,5-dione
CID 64959354
1-(2,5-dichlorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione
CID 64961750
1-(4-bromophenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64962386
1-(4-bromophenyl)-6-ethyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64962593
3,6-diethyl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione
CID 114840985
1-tert-butyl-6-ethyl-3-propylpiperazine-2,5-dione
CID 64955942

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(4-fluorophenyl)-3-propylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-(4-fluorophenyl)-3-propylpiperazine-2,5-dione (CID 64957506) is 6-ethyl-1-(4-fluorophenyl)-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-(4-fluorophenyl)-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-(4-fluorophenyl)-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(CC)N(c2ccc(F)cc2)C1=O.
What is the InChIKey of 6-ethyl-1-(4-fluorophenyl)-3-propylpiperazine-2,5-dione?
The InChIKey is WBWIZEZZDZGBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-3-5-12-15(20)18(13(4-2)14(19)17-12)11-8-6-10(16)7-9-11/h6-9,12-13H,3-5H2,1-2H3,(H,17,19).
What are the key properties of 6-ethyl-1-(4-fluorophenyl)-3-propylpiperazine-2,5-dione?
6-ethyl-1-(4-fluorophenyl)-3-propylpiperazine-2,5-dione has a molecular weight of 278.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(4-fluorophenyl)-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64957506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).