3,6-dicyclopropyl-1-(2-fluoroethyl)piperazine-2,5-dione

C12H17FN2O2 — CID 80698056

IUPAC3,6-dicyclopropyl-1-(2-fluoroethyl)piperazine-2,5-dione
SMILESO=C1NC(C2CC2)C(=O)N(CCF)C1C1CC1
InChIInChI=1S/C12H17FN2O2/c13-5-6-15-10(8-3-4-8)11(16)14-9(12(15)17)7-1-2-7/h7-10H,1-6H2,(H,14,16)
InChIKeyOGHGTSKUXFJBOE-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.47
Rot. Bonds4

About 3,6-dicyclopropyl-1-(2-fluoroethyl)piperazine-2,5-dione

3,6-dicyclopropyl-1-(2-fluoroethyl)piperazine-2,5-dione (PubChem CID 80698056) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 3,6-dicyclopropyl-1-(2-fluoroethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-dicyclopropyl-1-(2-fluoroethyl)piperazine-2,5-dione
PubChem CID80698056
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name3,6-dicyclopropyl-1-(2-fluoroethyl)piperazine-2,5-dione
SMILESO=C1NC(C2CC2)C(=O)N(CCF)C1C1CC1
InChIInChI=1S/C12H17FN2O2/c13-5-6-15-10(8-3-4-8)11(16)14-9(12(15)17)7-1-2-7/h7-10H,1-6H2,(H,14,16)
InChIKeyOGHGTSKUXFJBOE-UHFFFAOYSA-N
XLogP0.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dicyclopropyl-1-(2-fluoroethyl)piperazine-2,5-dione?
The IUPAC name of 3,6-dicyclopropyl-1-(2-fluoroethyl)piperazine-2,5-dione (CID 80698056) is 3,6-dicyclopropyl-1-(2-fluoroethyl)piperazine-2,5-dione.
What is the SMILES notation for 3,6-dicyclopropyl-1-(2-fluoroethyl)piperazine-2,5-dione?
The canonical SMILES for 3,6-dicyclopropyl-1-(2-fluoroethyl)piperazine-2,5-dione is O=C1NC(C2CC2)C(=O)N(CCF)C1C1CC1.
What is the InChIKey of 3,6-dicyclopropyl-1-(2-fluoroethyl)piperazine-2,5-dione?
The InChIKey is OGHGTSKUXFJBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c13-5-6-15-10(8-3-4-8)11(16)14-9(12(15)17)7-1-2-7/h7-10H,1-6H2,(H,14,16).
What are the key properties of 3,6-dicyclopropyl-1-(2-fluoroethyl)piperazine-2,5-dione?
3,6-dicyclopropyl-1-(2-fluoroethyl)piperazine-2,5-dione has a molecular weight of 240.28 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dicyclopropyl-1-(2-fluoroethyl)piperazine-2,5-dione is sourced from PubChem (CID 80698056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).