6-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylpiperazine-2,5-dione

C14H17FN2O2 — CID 64960027

IUPAC6-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1c1ccc(C)cc1F
InChIInChI=1S/C14H17FN2O2/c1-4-11-13(18)16-9(3)14(19)17(11)12-6-5-8(2)7-10(12)15/h5-7,9,11H,4H2,1-3H3,(H,16,18)
InChIKeyYVTVKZJNFBHFMC-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.76
Rot. Bonds2

About 6-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylpiperazine-2,5-dione

6-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylpiperazine-2,5-dione (PubChem CID 64960027) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 6-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylpiperazine-2,5-dione
PubChem CID64960027
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name6-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1c1ccc(C)cc1F
InChIInChI=1S/C14H17FN2O2/c1-4-11-13(18)16-9(3)14(19)17(11)12-6-5-8(2)7-10(12)15/h5-7,9,11H,4H2,1-3H3,(H,16,18)
InChIKeyYVTVKZJNFBHFMC-UHFFFAOYSA-N
XLogP1.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylpiperazine-2,5-dione (CID 64960027) is 6-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylpiperazine-2,5-dione is CCC1C(=O)NC(C)C(=O)N1c1ccc(C)cc1F.
What is the InChIKey of 6-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylpiperazine-2,5-dione?
The InChIKey is YVTVKZJNFBHFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-4-11-13(18)16-9(3)14(19)17(11)12-6-5-8(2)7-10(12)15/h5-7,9,11H,4H2,1-3H3,(H,16,18).
What are the key properties of 6-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylpiperazine-2,5-dione?
6-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylpiperazine-2,5-dione has a molecular weight of 264.30 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64960027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).