1-(4-fluoro-3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione

C15H19FN2O3 — CID 114840981

IUPAC1-(4-fluoro-3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(c2ccc(F)c(OC)c2)C1=O
InChIInChI=1S/C15H19FN2O3/c1-4-5-12-15(20)18(9(2)14(19)17-12)10-6-7-11(16)13(8-10)21-3/h6-9,12H,4-5H2,1-3H3,(H,17,19)
InChIKeyGNTDCIOSPCJHGP-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.85
Rot. Bonds4

About 1-(4-fluoro-3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione

1-(4-fluoro-3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione (PubChem CID 114840981) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione
PubChem CID114840981
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name1-(4-fluoro-3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(c2ccc(F)c(OC)c2)C1=O
InChIInChI=1S/C15H19FN2O3/c1-4-5-12-15(20)18(9(2)14(19)17-12)10-6-7-11(16)13(8-10)21-3/h6-9,12H,4-5H2,1-3H3,(H,17,19)
InChIKeyGNTDCIOSPCJHGP-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluoro-3-methoxyphenyl)-6-methyl-3-propylpiperazine-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 1-(4-fluoro-3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione (CID 114840981) is 1-(4-fluoro-3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C)N(c2ccc(F)c(OC)c2)C1=O.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione?
The InChIKey is GNTDCIOSPCJHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-4-5-12-15(20)18(9(2)14(19)17-12)10-6-7-11(16)13(8-10)21-3/h6-9,12H,4-5H2,1-3H3,(H,17,19).
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione?
1-(4-fluoro-3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione has a molecular weight of 294.33 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 114840981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).