1-(2,4-difluorophenyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione

C15H18F2N2O2 — CID 64957844

IUPAC1-(2,4-difluorophenyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)C)N(c2ccc(F)cc2F)C1=O
InChIInChI=1S/C15H18F2N2O2/c1-4-11-15(21)19(13(8(2)3)14(20)18-11)12-6-5-9(16)7-10(12)17/h5-8,11,13H,4H2,1-3H3,(H,18,20)
InChIKeyFCLLEPTYFHYIST-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.23
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione

1-(2,4-difluorophenyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64957844) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64957844
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name1-(2,4-difluorophenyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)C)N(c2ccc(F)cc2F)C1=O
InChIInChI=1S/C15H18F2N2O2/c1-4-11-15(21)19(13(8(2)3)14(20)18-11)12-6-5-9(16)7-10(12)17/h5-8,11,13H,4H2,1-3H3,(H,18,20)
InChIKeyFCLLEPTYFHYIST-UHFFFAOYSA-N
XLogP2.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(4-fluoro-2-iodophenyl)-6-propan-2-ylpiperazine-2,5-dione
CID 79761878
1-(3-chloro-2-fluorophenyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64962900
1-(2-bromo-5-methylphenyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 82749874
1-(4-chloro-2-fluorophenyl)-3,6-diethylpiperazine-2,5-dione
CID 64965262
3-ethyl-6-propan-2-yl-1-pyrimidin-5-ylpiperazine-2,5-dione
CID 107590262
3-ethyl-1-[(3-fluorophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64902986
3-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 107464996
3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64901263
1-(2-fluorophenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64958037
1-(4-bromo-2,5-difluorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 107608196
1-(2-bromophenyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64962495
1-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64903182

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(2,4-difluorophenyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione (CID 64957844) is 1-(2,4-difluorophenyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione is CCC1NC(=O)C(C(C)C)N(c2ccc(F)cc2F)C1=O.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is FCLLEPTYFHYIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-4-11-15(21)19(13(8(2)3)14(20)18-11)12-6-5-9(16)7-10(12)17/h5-8,11,13H,4H2,1-3H3,(H,18,20).
What are the key properties of 1-(2,4-difluorophenyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione?
1-(2,4-difluorophenyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 296.32 g/mol, XLogP of 2.23, 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-ethyl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64957844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).