1-(2-chloro-5-fluorophenyl)-3,3-diethylpiperazine-2,5-dione

C14H16ClFN2O2 — CID 107531646

IUPAC1-(2-chloro-5-fluorophenyl)-3,3-diethylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)CN(c2cc(F)ccc2Cl)C1=O
InChIInChI=1S/C14H16ClFN2O2/c1-3-14(4-2)13(20)18(8-12(19)17-14)11-7-9(16)5-6-10(11)15/h5-7H,3-4,8H2,1-2H3,(H,17,19)
InChIKeySREQSPXYYXIMDV-UHFFFAOYSA-N
MW298.74 g/mol
LogP2.50
Rot. Bonds3

About 1-(2-chloro-5-fluorophenyl)-3,3-diethylpiperazine-2,5-dione

1-(2-chloro-5-fluorophenyl)-3,3-diethylpiperazine-2,5-dione (PubChem CID 107531646) has the molecular formula C14H16ClFN2O2 and a molecular weight of 298.74 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-3,3-diethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-3,3-diethylpiperazine-2,5-dione
PubChem CID107531646
Molecular FormulaC14H16ClFN2O2
Molecular Weight298.74 g/mol
Exact Mass298.09
IUPAC Name1-(2-chloro-5-fluorophenyl)-3,3-diethylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)CN(c2cc(F)ccc2Cl)C1=O
InChIInChI=1S/C14H16ClFN2O2/c1-3-14(4-2)13(20)18(8-12(19)17-14)11-7-9(16)5-6-10(11)15/h5-7H,3-4,8H2,1-2H3,(H,17,19)
InChIKeySREQSPXYYXIMDV-UHFFFAOYSA-N
XLogP2.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.74
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-diethyl-1-(3-fluorophenyl)piperazine-2,5-dione
CID 64955543
1-(2-bromo-4-methylphenyl)-3,3-diethylpiperazine-2,5-dione
CID 64961939
3,3-diethyl-1-(2-propylphenyl)piperazine-2,5-dione
CID 64966229
4-(2-chloro-5-fluorophenyl)piperazine-2,6-dione
CID 107531477
3-butan-2-yl-1-(2-chloro-5-fluorophenyl)piperazine-2,5-dione
CID 107531624
1-[(2-chloro-5-fluorophenyl)methyl]-3-ethyl-3-methylpiperazine-2,5-dione
CID 102620935
1-(2-chloro-4-methylphenyl)-3-ethyl-3-methylpiperazine-2,5-dione
CID 64962753
9-(2-chloro-5-methylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 107640189
1-(2-chloro-5-fluorophenyl)-3-cyclopropylpiperazine-2,5-dione
CID 107531619
1-(1-benzothiophen-5-yl)-3,3-diethylpiperazine-2,5-dione
CID 65452546
1-(2-chloro-5-fluorophenyl)pyrrolidine-2,3-dione
CID 107528742
4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64959075

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-3,3-diethylpiperazine-2,5-dione?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-3,3-diethylpiperazine-2,5-dione (CID 107531646) is 1-(2-chloro-5-fluorophenyl)-3,3-diethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-3,3-diethylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-3,3-diethylpiperazine-2,5-dione is CCC1(CC)NC(=O)CN(c2cc(F)ccc2Cl)C1=O.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-3,3-diethylpiperazine-2,5-dione?
The InChIKey is SREQSPXYYXIMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O2/c1-3-14(4-2)13(20)18(8-12(19)17-14)11-7-9(16)5-6-10(11)15/h5-7H,3-4,8H2,1-2H3,(H,17,19).
What are the key properties of 1-(2-chloro-5-fluorophenyl)-3,3-diethylpiperazine-2,5-dione?
1-(2-chloro-5-fluorophenyl)-3,3-diethylpiperazine-2,5-dione has a molecular weight of 298.74 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-3,3-diethylpiperazine-2,5-dione is sourced from PubChem (CID 107531646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).