3-butan-2-yl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione

C15H19FN2O2 — CID 64878994

IUPAC3-butan-2-yl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)CN(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C15H19FN2O2/c1-3-10(2)14-15(20)18(9-13(19)17-14)8-11-4-6-12(16)7-5-11/h4-7,10,14H,3,8-9H2,1-2H3,(H,17,19)
InChIKeyFOQDUQONHMAJIL-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.70
Rot. Bonds4

About 3-butan-2-yl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione

3-butan-2-yl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione (PubChem CID 64878994) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-butan-2-yl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione
PubChem CID64878994
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name3-butan-2-yl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)CN(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C15H19FN2O2/c1-3-10(2)14-15(20)18(9-13(19)17-14)8-11-4-6-12(16)7-5-11/h4-7,10,14H,3,8-9H2,1-2H3,(H,17,19)
InChIKeyFOQDUQONHMAJIL-UHFFFAOYSA-N
XLogP1.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione (CID 64878994) is 3-butan-2-yl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione is CCC(C)C1NC(=O)CN(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of 3-butan-2-yl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione?
The InChIKey is FOQDUQONHMAJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-3-10(2)14-15(20)18(9-13(19)17-14)8-11-4-6-12(16)7-5-11/h4-7,10,14H,3,8-9H2,1-2H3,(H,17,19).
What are the key properties of 3-butan-2-yl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione?
3-butan-2-yl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione has a molecular weight of 278.33 g/mol, XLogP of 1.70, 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-[(4-fluorophenyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64878994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).