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

C13H21FN2O2 — CID 80696460

IUPAC3-cyclopropyl-6,6-diethyl-1-(2-fluoroethyl)piperazine-2,5-dione
SMILESCCC1(CC)C(=O)NC(C2CC2)C(=O)N1CCF
InChIInChI=1S/C13H21FN2O2/c1-3-13(4-2)12(18)15-10(9-5-6-9)11(17)16(13)8-7-14/h9-10H,3-8H2,1-2H3,(H,15,18)
InChIKeyYXDJWUKTYJBCMN-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.25
Rot. Bonds5

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

3-cyclopropyl-6,6-diethyl-1-(2-fluoroethyl)piperazine-2,5-dione (PubChem CID 80696460) has the molecular formula C13H21FN2O2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 3-cyclopropyl-6,6-diethyl-1-(2-fluoroethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-6,6-diethyl-1-(2-fluoroethyl)piperazine-2,5-dione
PubChem CID80696460
Molecular FormulaC13H21FN2O2
Molecular Weight256.32 g/mol
Exact Mass256.16
IUPAC Name3-cyclopropyl-6,6-diethyl-1-(2-fluoroethyl)piperazine-2,5-dione
SMILESCCC1(CC)C(=O)NC(C2CC2)C(=O)N1CCF
InChIInChI=1S/C13H21FN2O2/c1-3-13(4-2)12(18)15-10(9-5-6-9)11(17)16(13)8-7-14/h9-10H,3-8H2,1-2H3,(H,15,18)
InChIKeyYXDJWUKTYJBCMN-UHFFFAOYSA-N
XLogP1.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6,6-diethyl-1-(2-fluoroethyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-6,6-diethyl-1-(2-fluoroethyl)piperazine-2,5-dione (CID 80696460) is 3-cyclopropyl-6,6-diethyl-1-(2-fluoroethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-6,6-diethyl-1-(2-fluoroethyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-6,6-diethyl-1-(2-fluoroethyl)piperazine-2,5-dione is CCC1(CC)C(=O)NC(C2CC2)C(=O)N1CCF.
What is the InChIKey of 3-cyclopropyl-6,6-diethyl-1-(2-fluoroethyl)piperazine-2,5-dione?
The InChIKey is YXDJWUKTYJBCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2/c1-3-13(4-2)12(18)15-10(9-5-6-9)11(17)16(13)8-7-14/h9-10H,3-8H2,1-2H3,(H,15,18).
What are the key properties of 3-cyclopropyl-6,6-diethyl-1-(2-fluoroethyl)piperazine-2,5-dione?
3-cyclopropyl-6,6-diethyl-1-(2-fluoroethyl)piperazine-2,5-dione has a molecular weight of 256.32 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6,6-diethyl-1-(2-fluoroethyl)piperazine-2,5-dione is sourced from PubChem (CID 80696460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).