6-tert-butyl-1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione

C12H21FN2O2 — CID 80696754

IUPAC6-tert-butyl-1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione
SMILESCC1(C)NC(=O)C(C(C)(C)C)N(CCF)C1=O
InChIInChI=1S/C12H21FN2O2/c1-11(2,3)8-9(16)14-12(4,5)10(17)15(8)7-6-13/h8H,6-7H2,1-5H3,(H,14,16)
InChIKeyKMHYTQXSAGPDBL-UHFFFAOYSA-N
MW244.31 g/mol
LogP1.11
Rot. Bonds2

About 6-tert-butyl-1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione

6-tert-butyl-1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione (PubChem CID 80696754) has the molecular formula C12H21FN2O2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 6-tert-butyl-1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-tert-butyl-1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione
PubChem CID80696754
Molecular FormulaC12H21FN2O2
Molecular Weight244.31 g/mol
Exact Mass244.16
IUPAC Name6-tert-butyl-1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione
SMILESCC1(C)NC(=O)C(C(C)(C)C)N(CCF)C1=O
InChIInChI=1S/C12H21FN2O2/c1-11(2,3)8-9(16)14-12(4,5)10(17)15(8)7-6-13/h8H,6-7H2,1-5H3,(H,14,16)
InChIKeyKMHYTQXSAGPDBL-UHFFFAOYSA-N
XLogP1.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-tert-butyl-1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,6S)-3,6-Diisopropylpiperazine-2,5-dione
CID 7075896
Cyclo-L-Val-L-Val
CID 637596
Valylvaline anhydride
CID 519728
5-Tert-butylpiperazin-2-one
CID 59765867
(3R,6S)-3,6-Diisopropylpiperazin-2,5-dion
CID 6545987
4-Methyl-3-(propan-2-yl)piperazin-2-one
CID 86775174
N,N,3,3-tetramethyl-2-(2,2,2-trifluoroacetamido)butanamide
CID 172907235
3,3-dimethyl-N-propyl-2-(2,2,2-trifluoroacetamido)butanamide
CID 172907243
N-(t-butyl)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)-butanamide
CID 172907255
(3S,6S)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 11745302
1-Isopropyl-3,3,5,5-tetramethyl-2-piperazinone
CID 12580992
(2S)-2-amino-1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 121577277

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 6-tert-butyl-1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione (CID 80696754) is 6-tert-butyl-1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 6-tert-butyl-1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 6-tert-butyl-1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione is CC1(C)NC(=O)C(C(C)(C)C)N(CCF)C1=O.
What is the InChIKey of 6-tert-butyl-1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is KMHYTQXSAGPDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN2O2/c1-11(2,3)8-9(16)14-12(4,5)10(17)15(8)7-6-13/h8H,6-7H2,1-5H3,(H,14,16).
What are the key properties of 6-tert-butyl-1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione?
6-tert-butyl-1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione has a molecular weight of 244.31 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 80696754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).