6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione

C15H19FN2O2 — CID 64960897

IUPAC6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1CCc1cccc(F)c1
InChIInChI=1S/C15H19FN2O2/c1-3-13-14(19)17-10(2)15(20)18(13)8-7-11-5-4-6-12(16)9-11/h4-6,9-10,13H,3,7-8H2,1-2H3,(H,17,19)
InChIKeyXQZZFISTCVXBAT-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.49
Rot. Bonds4

About 6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione

6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione (PubChem CID 64960897) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione
PubChem CID64960897
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1CCc1cccc(F)c1
InChIInChI=1S/C15H19FN2O2/c1-3-13-14(19)17-10(2)15(20)18(13)8-7-11-5-4-6-12(16)9-11/h4-6,9-10,13H,3,7-8H2,1-2H3,(H,17,19)
InChIKeyXQZZFISTCVXBAT-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-fluorophenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione
CID 64960861
1-[(3,5-difluorophenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione
CID 105410252
(5S)-5-ethyl-3-[2-(3-fluorophenyl)ethyl]imidazolidine-2,4-dione
CID 75483628
1-[(3-bromo-5-fluorophenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione
CID 79711880
6-ethyl-3-methyl-1-pentylpiperazine-2,5-dione
CID 64874269
3-ethyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,5-dione
CID 64960886
6-ethyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 64873869
1-(2-bromo-4-fluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64962967
1-[2-(3-fluorophenyl)ethyl]-3-(methylamino)pyrrolidin-2-one
CID 54972964
6-ethyl-3-methyl-1-(3-propoxypropyl)piperazine-2,5-dione
CID 82947001
3-cyclopropyl-6-ethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione
CID 64963576
6-ethyl-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64872498

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione (CID 64960897) is 6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione is CCC1C(=O)NC(C)C(=O)N1CCc1cccc(F)c1.
What is the InChIKey of 6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione?
The InChIKey is XQZZFISTCVXBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-3-13-14(19)17-10(2)15(20)18(13)8-7-11-5-4-6-12(16)9-11/h4-6,9-10,13H,3,7-8H2,1-2H3,(H,17,19).
What are the key properties of 6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione?
6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione has a molecular weight of 278.33 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64960897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).