1-[3-fluoro-4-[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]ethanone

C18H19FN2O2S — CID 2939373

IUPAC1-[3-fluoro-4-[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3cccs3)C(C)C2)c(F)c1
InChIInChI=1S/C18H19FN2O2S/c1-12-11-20(16-6-5-14(13(2)22)10-15(16)19)7-8-21(12)18(23)17-4-3-9-24-17/h3-6,9-10,12H,7-8,11H2,1-2H3
InChIKeyLVVIAOYULRZLDP-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.44
Rot. Bonds3

About 1-[3-fluoro-4-[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]ethanone

1-[3-fluoro-4-[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]ethanone (PubChem CID 2939373) has the molecular formula C18H19FN2O2S and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[3-fluoro-4-[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-4-[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]ethanone
PubChem CID2939373
Molecular FormulaC18H19FN2O2S
Molecular Weight346.43 g/mol
Exact Mass346.12
IUPAC Name1-[3-fluoro-4-[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3cccs3)C(C)C2)c(F)c1
InChIInChI=1S/C18H19FN2O2S/c1-12-11-20(16-6-5-14(13(2)22)10-15(16)19)7-8-21(12)18(23)17-4-3-9-24-17/h3-6,9-10,12H,7-8,11H2,1-2H3
InChIKeyLVVIAOYULRZLDP-UHFFFAOYSA-N
XLogP3.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-fluoro-4-[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]ethanone 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-[3-fluoro-4-[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[3-fluoro-4-[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]ethanone (CID 2939373) is 1-[3-fluoro-4-[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-4-[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-fluoro-4-[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(C(=O)c3cccs3)C(C)C2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]ethanone?
The InChIKey is LVVIAOYULRZLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2S/c1-12-11-20(16-6-5-14(13(2)22)10-15(16)19)7-8-21(12)18(23)17-4-3-9-24-17/h3-6,9-10,12H,7-8,11H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]ethanone?
1-[3-fluoro-4-[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]ethanone has a molecular weight of 346.43 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 2939373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).