3-butan-2-yl-1-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione

C16H21FN2O2 — CID 64966056

IUPAC3-butan-2-yl-1-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)CN(C(C)c2ccccc2F)C1=O
InChIInChI=1S/C16H21FN2O2/c1-4-10(2)15-16(21)19(9-14(20)18-15)11(3)12-7-5-6-8-13(12)17/h5-8,10-11,15H,4,9H2,1-3H3,(H,18,20)
InChIKeyVHRAEBHZZFZFNZ-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.26
Rot. Bonds4

About 3-butan-2-yl-1-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione

3-butan-2-yl-1-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione (PubChem CID 64966056) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 3-butan-2-yl-1-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione
PubChem CID64966056
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name3-butan-2-yl-1-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)CN(C(C)c2ccccc2F)C1=O
InChIInChI=1S/C16H21FN2O2/c1-4-10(2)15-16(21)19(9-14(20)18-15)11(3)12-7-5-6-8-13(12)17/h5-8,10-11,15H,4,9H2,1-3H3,(H,18,20)
InChIKeyVHRAEBHZZFZFNZ-UHFFFAOYSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

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Related Compounds

3-tert-butyl-1-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione
CID 64965994
3-butan-2-yl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione
CID 64961132
3-butan-2-yl-1-(2,6-difluorophenyl)piperazine-2,5-dione
CID 64960024
3-butan-2-yl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione
CID 114840990
3-butan-2-yl-1-(1-cyclopentylethyl)piperazine-2,5-dione
CID 64972207
3-butan-2-yl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione
CID 64878994
3-butan-2-yl-1-methylpiperazine-2,5-dione
CID 64880533
3-butan-2-yl-1-(3-ethylphenyl)piperazine-2,5-dione
CID 64959213
1-[1-(2-methylphenyl)ethyl]-3-propylpiperazine-2,5-dione
CID 64966088
3-butan-2-yl-1-thiophen-3-ylpiperazine-2,5-dione
CID 66355639
3-butan-2-yl-1-(2-chlorophenyl)piperazine-2,5-dione
CID 64962602
1-[1-(2-fluorophenyl)ethyl]-1,4-diazepane-2,5-dione
CID 64965938

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione (CID 64966056) is 3-butan-2-yl-1-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione is CCC(C)C1NC(=O)CN(C(C)c2ccccc2F)C1=O.
What is the InChIKey of 3-butan-2-yl-1-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione?
The InChIKey is VHRAEBHZZFZFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-4-10(2)15-16(21)19(9-14(20)18-15)11(3)12-7-5-6-8-13(12)17/h5-8,10-11,15H,4,9H2,1-3H3,(H,18,20).
What are the key properties of 3-butan-2-yl-1-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione?
3-butan-2-yl-1-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione has a molecular weight of 292.35 g/mol, XLogP of 2.26, 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-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 64966056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).