3-butan-2-yl-1-(2-fluoroethyl)piperazine-2,5-dione

C10H17FN2O2 — CID 80697451

IUPAC3-butan-2-yl-1-(2-fluoroethyl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)CN(CCF)C1=O
InChIInChI=1S/C10H17FN2O2/c1-3-7(2)9-10(15)13(5-4-11)6-8(14)12-9/h7,9H,3-6H2,1-2H3,(H,12,14)
InChIKeyLHHVNVJKPSYCRY-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.33
Rot. Bonds4

About 3-butan-2-yl-1-(2-fluoroethyl)piperazine-2,5-dione

3-butan-2-yl-1-(2-fluoroethyl)piperazine-2,5-dione (PubChem CID 80697451) has the molecular formula C10H17FN2O2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 3-butan-2-yl-1-(2-fluoroethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-(2-fluoroethyl)piperazine-2,5-dione
PubChem CID80697451
Molecular FormulaC10H17FN2O2
Molecular Weight216.26 g/mol
Exact Mass216.13
IUPAC Name3-butan-2-yl-1-(2-fluoroethyl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)CN(CCF)C1=O
InChIInChI=1S/C10H17FN2O2/c1-3-7(2)9-10(15)13(5-4-11)6-8(14)12-9/h7,9H,3-6H2,1-2H3,(H,12,14)
InChIKeyLHHVNVJKPSYCRY-UHFFFAOYSA-N
XLogP0.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoroethyl)-3-propan-2-ylpiperazine-2,5-dione
CID 80697304
3-butan-2-yl-1-pentylpiperazine-2,5-dione
CID 64881502
3-butan-2-yl-1-(2-methoxyethyl)piperazine-2,5-dione
CID 64881503
3-butan-2-yl-1-methylpiperazine-2,5-dione
CID 64880533
3-butan-2-yl-1-but-3-ynylpiperazine-2,5-dione
CID 64972451
3-butan-2-yl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione
CID 114516865
3-butan-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-2,5-dione
CID 64881308
3-butan-2-yl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione
CID 64878994
3-butan-2-yl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 64878609
3-butan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970385
3-butan-2-yl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
CID 106422027
3-butan-2-yl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione
CID 103142001

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(2-fluoroethyl)piperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-(2-fluoroethyl)piperazine-2,5-dione (CID 80697451) is 3-butan-2-yl-1-(2-fluoroethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-(2-fluoroethyl)piperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-(2-fluoroethyl)piperazine-2,5-dione is CCC(C)C1NC(=O)CN(CCF)C1=O.
What is the InChIKey of 3-butan-2-yl-1-(2-fluoroethyl)piperazine-2,5-dione?
The InChIKey is LHHVNVJKPSYCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O2/c1-3-7(2)9-10(15)13(5-4-11)6-8(14)12-9/h7,9H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 3-butan-2-yl-1-(2-fluoroethyl)piperazine-2,5-dione?
3-butan-2-yl-1-(2-fluoroethyl)piperazine-2,5-dione has a molecular weight of 216.26 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(2-fluoroethyl)piperazine-2,5-dione is sourced from PubChem (CID 80697451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).