1-[(2-fluoro-4-methoxyphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione

C15H19FN2O3 — CID 102879788

IUPAC1-[(2-fluoro-4-methoxyphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
SMILESCOc1ccc(CN2CC(=O)NC(C(C)C)C2=O)c(F)c1
InChIInChI=1S/C15H19FN2O3/c1-9(2)14-15(20)18(8-13(19)17-14)7-10-4-5-11(21-3)6-12(10)16/h4-6,9,14H,7-8H2,1-3H3,(H,17,19)
InChIKeyITHPBWQBBVBYFU-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.32
Rot. Bonds4

About 1-[(2-fluoro-4-methoxyphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione

1-[(2-fluoro-4-methoxyphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 102879788) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-[(2-fluoro-4-methoxyphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(2-fluoro-4-methoxyphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
PubChem CID102879788
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name1-[(2-fluoro-4-methoxyphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
SMILESCOc1ccc(CN2CC(=O)NC(C(C)C)C2=O)c(F)c1
InChIInChI=1S/C15H19FN2O3/c1-9(2)14-15(20)18(8-13(19)17-14)7-10-4-5-11(21-3)6-12(10)16/h4-6,9,14H,7-8H2,1-3H3,(H,17,19)
InChIKeyITHPBWQBBVBYFU-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2-fluoro-4-methoxyphenyl)methyl]-3-propan-2-ylpiperazine-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-[(2-fluoro-4-methoxyphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione (CID 102879788) is 1-[(2-fluoro-4-methoxyphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(2-fluoro-4-methoxyphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-[(2-fluoro-4-methoxyphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione is COc1ccc(CN2CC(=O)NC(C(C)C)C2=O)c(F)c1.
What is the InChIKey of 1-[(2-fluoro-4-methoxyphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is ITHPBWQBBVBYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-9(2)14-15(20)18(8-13(19)17-14)7-10-4-5-11(21-3)6-12(10)16/h4-6,9,14H,7-8H2,1-3H3,(H,17,19).
What are the key properties of 1-[(2-fluoro-4-methoxyphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
1-[(2-fluoro-4-methoxyphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 294.33 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-4-methoxyphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 102879788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).