6-ethyl-1-(4-fluoro-3-methoxyphenyl)-3,3-dimethylpiperazine-2,5-dione

C15H19FN2O3 — CID 114841009

IUPAC6-ethyl-1-(4-fluoro-3-methoxyphenyl)-3,3-dimethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1c1ccc(F)c(OC)c1
InChIInChI=1S/C15H19FN2O3/c1-5-11-13(19)17-15(2,3)14(20)18(11)9-6-7-10(16)12(8-9)21-4/h6-8,11H,5H2,1-4H3,(H,17,19)
InChIKeyRIZRPVZULAMVAW-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.85
Rot. Bonds3

About 6-ethyl-1-(4-fluoro-3-methoxyphenyl)-3,3-dimethylpiperazine-2,5-dione

6-ethyl-1-(4-fluoro-3-methoxyphenyl)-3,3-dimethylpiperazine-2,5-dione (PubChem CID 114841009) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 6-ethyl-1-(4-fluoro-3-methoxyphenyl)-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-(4-fluoro-3-methoxyphenyl)-3,3-dimethylpiperazine-2,5-dione
PubChem CID114841009
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name6-ethyl-1-(4-fluoro-3-methoxyphenyl)-3,3-dimethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1c1ccc(F)c(OC)c1
InChIInChI=1S/C15H19FN2O3/c1-5-11-13(19)17-15(2,3)14(20)18(11)9-6-7-10(16)12(8-9)21-4/h6-8,11H,5H2,1-4H3,(H,17,19)
InChIKeyRIZRPVZULAMVAW-UHFFFAOYSA-N
XLogP1.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(4-fluoro-3-methoxyphenyl)-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-(4-fluoro-3-methoxyphenyl)-3,3-dimethylpiperazine-2,5-dione (CID 114841009) is 6-ethyl-1-(4-fluoro-3-methoxyphenyl)-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-(4-fluoro-3-methoxyphenyl)-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-(4-fluoro-3-methoxyphenyl)-3,3-dimethylpiperazine-2,5-dione is CCC1C(=O)NC(C)(C)C(=O)N1c1ccc(F)c(OC)c1.
What is the InChIKey of 6-ethyl-1-(4-fluoro-3-methoxyphenyl)-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is RIZRPVZULAMVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-5-11-13(19)17-15(2,3)14(20)18(11)9-6-7-10(16)12(8-9)21-4/h6-8,11H,5H2,1-4H3,(H,17,19).
What are the key properties of 6-ethyl-1-(4-fluoro-3-methoxyphenyl)-3,3-dimethylpiperazine-2,5-dione?
6-ethyl-1-(4-fluoro-3-methoxyphenyl)-3,3-dimethylpiperazine-2,5-dione has a molecular weight of 294.33 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(4-fluoro-3-methoxyphenyl)-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 114841009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).