3,3-diethyl-1-(3-fluorophenyl)piperazine-2,5-dione

C14H17FN2O2 — CID 64955543

IUPAC3,3-diethyl-1-(3-fluorophenyl)piperazine-2,5-dione
SMILESCCC1(CC)NC(=O)CN(c2cccc(F)c2)C1=O
InChIInChI=1S/C14H17FN2O2/c1-3-14(4-2)13(19)17(9-12(18)16-14)11-7-5-6-10(15)8-11/h5-8H,3-4,9H2,1-2H3,(H,16,18)
InChIKeyADJWXHUUOFUIMS-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.85
Rot. Bonds3

About 3,3-diethyl-1-(3-fluorophenyl)piperazine-2,5-dione

3,3-diethyl-1-(3-fluorophenyl)piperazine-2,5-dione (PubChem CID 64955543) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 3,3-diethyl-1-(3-fluorophenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-(3-fluorophenyl)piperazine-2,5-dione
PubChem CID64955543
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name3,3-diethyl-1-(3-fluorophenyl)piperazine-2,5-dione
SMILESCCC1(CC)NC(=O)CN(c2cccc(F)c2)C1=O
InChIInChI=1S/C14H17FN2O2/c1-3-14(4-2)13(19)17(9-12(18)16-14)11-7-5-6-10(15)8-11/h5-8H,3-4,9H2,1-2H3,(H,16,18)
InChIKeyADJWXHUUOFUIMS-UHFFFAOYSA-N
XLogP1.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(3-fluorophenyl)piperazine-2,5-dione?
The IUPAC name of 3,3-diethyl-1-(3-fluorophenyl)piperazine-2,5-dione (CID 64955543) is 3,3-diethyl-1-(3-fluorophenyl)piperazine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-(3-fluorophenyl)piperazine-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-(3-fluorophenyl)piperazine-2,5-dione is CCC1(CC)NC(=O)CN(c2cccc(F)c2)C1=O.
What is the InChIKey of 3,3-diethyl-1-(3-fluorophenyl)piperazine-2,5-dione?
The InChIKey is ADJWXHUUOFUIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-3-14(4-2)13(19)17(9-12(18)16-14)11-7-5-6-10(15)8-11/h5-8H,3-4,9H2,1-2H3,(H,16,18).
What are the key properties of 3,3-diethyl-1-(3-fluorophenyl)piperazine-2,5-dione?
3,3-diethyl-1-(3-fluorophenyl)piperazine-2,5-dione has a molecular weight of 264.30 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(3-fluorophenyl)piperazine-2,5-dione is sourced from PubChem (CID 64955543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).