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

C14H25FN2O2 — CID 80697160

IUPAC3,3,6,6-tetraethyl-1-(2-fluoroethyl)piperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(CC)(CC)N(CCF)C1=O
InChIInChI=1S/C14H25FN2O2/c1-5-13(6-2)12(19)17(10-9-15)14(7-3,8-4)11(18)16-13/h5-10H2,1-4H3,(H,16,18)
InChIKeyPVHQOGWWJRAGCA-UHFFFAOYSA-N
MW272.36 g/mol
LogP2.03
Rot. Bonds6

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

3,3,6,6-tetraethyl-1-(2-fluoroethyl)piperazine-2,5-dione (PubChem CID 80697160) has the molecular formula C14H25FN2O2 and a molecular weight of 272.36 g/mol. Its IUPAC name is 3,3,6,6-tetraethyl-1-(2-fluoroethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,3,6,6-tetraethyl-1-(2-fluoroethyl)piperazine-2,5-dione
PubChem CID80697160
Molecular FormulaC14H25FN2O2
Molecular Weight272.36 g/mol
Exact Mass272.19
IUPAC Name3,3,6,6-tetraethyl-1-(2-fluoroethyl)piperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(CC)(CC)N(CCF)C1=O
InChIInChI=1S/C14H25FN2O2/c1-5-13(6-2)12(19)17(10-9-15)14(7-3,8-4)11(18)16-13/h5-10H2,1-4H3,(H,16,18)
InChIKeyPVHQOGWWJRAGCA-UHFFFAOYSA-N
XLogP2.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-ethyl-3-methylpiperazine-2,5-dione
CID 130004947
N1-(tert-butyl)-N2-((1-isopropylpiperidin-4-yl)methyl)oxalamide
CID 16886630
3,3,5,5-Tetramethyl-1-propylpiperazin-2-one
CID 12580991
1-Tert-butyl-3,3,5,5-tetramethylpiperazin-2-one
CID 12580995
1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxamide
CID 29439803
(2S)-N-tert-butyl-2-(4-methylpiperidin-1-yl)propanamide
CID 40028638
4-Cyclobutanecarbonyl-3,3-dimethylpiperazin-2-one
CID 53017578
(2S)-2,4-dimethyl-2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]pentanamide
CID 97568980
2-[2-Oxo-4-(2,2,2-trifluoroethyl)piperidin-1-yl]butanamide
CID 9943251
5-(2-Amino-3-fluoropropyl)-1-tert-butylpiperazine-2,3-dione
CID 58093314
1-Methyl-4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide
CID 58319335
1-Methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxamide
CID 58367579

Frequently Asked Questions

What is the IUPAC name of 3,3,6,6-tetraethyl-1-(2-fluoroethyl)piperazine-2,5-dione?
The IUPAC name of 3,3,6,6-tetraethyl-1-(2-fluoroethyl)piperazine-2,5-dione (CID 80697160) is 3,3,6,6-tetraethyl-1-(2-fluoroethyl)piperazine-2,5-dione.
What is the SMILES notation for 3,3,6,6-tetraethyl-1-(2-fluoroethyl)piperazine-2,5-dione?
The canonical SMILES for 3,3,6,6-tetraethyl-1-(2-fluoroethyl)piperazine-2,5-dione is CCC1(CC)NC(=O)C(CC)(CC)N(CCF)C1=O.
What is the InChIKey of 3,3,6,6-tetraethyl-1-(2-fluoroethyl)piperazine-2,5-dione?
The InChIKey is PVHQOGWWJRAGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2O2/c1-5-13(6-2)12(19)17(10-9-15)14(7-3,8-4)11(18)16-13/h5-10H2,1-4H3,(H,16,18).
What are the key properties of 3,3,6,6-tetraethyl-1-(2-fluoroethyl)piperazine-2,5-dione?
3,3,6,6-tetraethyl-1-(2-fluoroethyl)piperazine-2,5-dione has a molecular weight of 272.36 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,6-tetraethyl-1-(2-fluoroethyl)piperazine-2,5-dione is sourced from PubChem (CID 80697160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).