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

C14H17FN2O2 — CID 64960886

IUPAC3-ethyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,5-dione
SMILESCCC1NC(=O)CN(CCc2cccc(F)c2)C1=O
InChIInChI=1S/C14H17FN2O2/c1-2-12-14(19)17(9-13(18)16-12)7-6-10-4-3-5-11(15)8-10/h3-5,8,12H,2,6-7,9H2,1H3,(H,16,18)
InChIKeyJRSOMDJFKMDGJI-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.11
Rot. Bonds4

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

3-ethyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,5-dione (PubChem CID 64960886) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 3-ethyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,5-dione
PubChem CID64960886
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name3-ethyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,5-dione
SMILESCCC1NC(=O)CN(CCc2cccc(F)c2)C1=O
InChIInChI=1S/C14H17FN2O2/c1-2-12-14(19)17(9-13(18)16-12)7-6-10-4-3-5-11(15)8-10/h3-5,8,12H,2,6-7,9H2,1H3,(H,16,18)
InChIKeyJRSOMDJFKMDGJI-UHFFFAOYSA-N
XLogP1.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,5-dione (CID 64960886) is 3-ethyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,5-dione is CCC1NC(=O)CN(CCc2cccc(F)c2)C1=O.
What is the InChIKey of 3-ethyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,5-dione?
The InChIKey is JRSOMDJFKMDGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-2-12-14(19)17(9-13(18)16-12)7-6-10-4-3-5-11(15)8-10/h3-5,8,12H,2,6-7,9H2,1H3,(H,16,18).
What are the key properties of 3-ethyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,5-dione?
3-ethyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,5-dione has a molecular weight of 264.30 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 64960886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).