3-tert-butyl-1-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione

C16H21FN2O2 — CID 64965994

IUPAC3-tert-butyl-1-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione
SMILESCC(c1ccccc1F)N1CC(=O)NC(C(C)(C)C)C1=O
InChIInChI=1S/C16H21FN2O2/c1-10(11-7-5-6-8-12(11)17)19-9-13(20)18-14(15(19)21)16(2,3)4/h5-8,10,14H,9H2,1-4H3,(H,18,20)
InChIKeyQZADLQLNISHZSS-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.26
Rot. Bonds2

About 3-tert-butyl-1-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione

3-tert-butyl-1-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione (PubChem CID 64965994) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 3-tert-butyl-1-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-1-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione
PubChem CID64965994
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name3-tert-butyl-1-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione
SMILESCC(c1ccccc1F)N1CC(=O)NC(C(C)(C)C)C1=O
InChIInChI=1S/C16H21FN2O2/c1-10(11-7-5-6-8-12(11)17)19-9-13(20)18-14(15(19)21)16(2,3)4/h5-8,10,14H,9H2,1-4H3,(H,18,20)
InChIKeyQZADLQLNISHZSS-UHFFFAOYSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-tert-butyl-1-[1-(2-fluorophenyl)ethyl]piperazine-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

3-butan-2-yl-1-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione
CID 64966056
3-tert-butyl-1-[(2-fluorophenyl)methyl]piperazine-2,5-dione
CID 64880585
3-tert-butyl-1-pentan-2-ylpiperazine-2,5-dione
CID 64957328
1-[1-(2-fluorophenyl)ethyl]imidazolidin-2-one
CID 115370506
1-[1-(2-fluorophenyl)ethyl]-1,4-diazepane-2,5-dione
CID 64965938
3-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-6-methylpiperazine-2,5-dione
CID 64966030
3-tert-butyl-1-(3-methylsulfanylphenyl)piperazine-2,5-dione
CID 64961811
1-[1-(2-methylphenyl)ethyl]-3-propylpiperazine-2,5-dione
CID 64966088
3-tert-butyl-1-(2-fluoro-5-methylphenyl)piperazine-2,5-dione
CID 64959864
3-tert-butyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione
CID 64973137
3-tert-butyl-1-phenyl-1,4-diazepane-2,5-dione
CID 64958740
3-tert-butyl-1-[(3-fluorophenyl)methyl]piperazine-2,5-dione
CID 64880761

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-1-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione (CID 64965994) is 3-tert-butyl-1-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-1-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-1-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione is CC(c1ccccc1F)N1CC(=O)NC(C(C)(C)C)C1=O.
What is the InChIKey of 3-tert-butyl-1-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione?
The InChIKey is QZADLQLNISHZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-10(11-7-5-6-8-12(11)17)19-9-13(20)18-14(15(19)21)16(2,3)4/h5-8,10,14H,9H2,1-4H3,(H,18,20).
What are the key properties of 3-tert-butyl-1-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione?
3-tert-butyl-1-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione has a molecular weight of 292.35 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 64965994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).