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

C15H18ClFN2O2 — CID 64964838

IUPAC1-(4-chloro-3-fluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)C)C(=O)N1c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H18ClFN2O2/c1-4-12-14(20)18-13(8(2)3)15(21)19(12)9-5-6-10(16)11(17)7-9/h5-8,12-13H,4H2,1-3H3,(H,18,20)
InChIKeyVUEVFYRWNZDAFM-UHFFFAOYSA-N
MW312.77 g/mol
LogP2.75
Rot. Bonds3

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

1-(4-chloro-3-fluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64964838) has the molecular formula C15H18ClFN2O2 and a molecular weight of 312.77 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64964838
Molecular FormulaC15H18ClFN2O2
Molecular Weight312.77 g/mol
Exact Mass312.10
IUPAC Name1-(4-chloro-3-fluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)C)C(=O)N1c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H18ClFN2O2/c1-4-12-14(20)18-13(8(2)3)15(21)19(12)9-5-6-10(16)11(17)7-9/h5-8,12-13H,4H2,1-3H3,(H,18,20)
InChIKeyVUEVFYRWNZDAFM-UHFFFAOYSA-N
XLogP2.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-1-(3-fluoro-4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64958396
1-(2,6-difluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64959896
1-(3-chloro-4-fluorophenyl)-3,6-diethylpiperazine-2,5-dione
CID 64962986
1-(4-chloro-3-fluorophenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64964857
3,6-diethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione
CID 64957876
1-(2,6-dibromophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 107604069
1-(3-chloro-4-methylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64961652
1-(5-bromo-2-methylphenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64963646
3-butan-2-yl-6-ethyl-1-phenylpiperazine-2,5-dione
CID 64958754
1-(5-chloro-2-fluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64963269
1-(1,3-dimethylpyrazol-4-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 102807635
3,6-diethyl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione
CID 114840985

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione (CID 64964838) is 1-(4-chloro-3-fluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione is CCC1C(=O)NC(C(C)C)C(=O)N1c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is VUEVFYRWNZDAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O2/c1-4-12-14(20)18-13(8(2)3)15(21)19(12)9-5-6-10(16)11(17)7-9/h5-8,12-13H,4H2,1-3H3,(H,18,20).
What are the key properties of 1-(4-chloro-3-fluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
1-(4-chloro-3-fluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 312.77 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64964838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).