3-butan-2-yl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione

C15H19FN2O3 — CID 114840990

IUPAC3-butan-2-yl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)CN(c2ccc(F)c(OC)c2)C1=O
InChIInChI=1S/C15H19FN2O3/c1-4-9(2)14-15(20)18(8-13(19)17-14)10-5-6-11(16)12(7-10)21-3/h5-7,9,14H,4,8H2,1-3H3,(H,17,19)
InChIKeyMQVPRFWLRSAWTE-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.71
Rot. Bonds4

About 3-butan-2-yl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione

3-butan-2-yl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione (PubChem CID 114840990) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-butan-2-yl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione
PubChem CID114840990
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name3-butan-2-yl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)CN(c2ccc(F)c(OC)c2)C1=O
InChIInChI=1S/C15H19FN2O3/c1-4-9(2)14-15(20)18(8-13(19)17-14)10-5-6-11(16)12(7-10)21-3/h5-7,9,14H,4,8H2,1-3H3,(H,17,19)
InChIKeyMQVPRFWLRSAWTE-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-butan-2-yl-1-(4-fluoro-3-methoxyphenyl)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

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione (CID 114840990) is 3-butan-2-yl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione is CCC(C)C1NC(=O)CN(c2ccc(F)c(OC)c2)C1=O.
What is the InChIKey of 3-butan-2-yl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione?
The InChIKey is MQVPRFWLRSAWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-4-9(2)14-15(20)18(8-13(19)17-14)10-5-6-11(16)12(7-10)21-3/h5-7,9,14H,4,8H2,1-3H3,(H,17,19).
What are the key properties of 3-butan-2-yl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione?
3-butan-2-yl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione has a molecular weight of 294.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione is sourced from PubChem (CID 114840990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).