3-(3-fluorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one

C16H23FN2O — CID 110662361

IUPAC3-(3-fluorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
SMILESCC1CN(C(=O)CCc2cccc(F)c2)CC(C)N1C
InChIInChI=1S/C16H23FN2O/c1-12-10-19(11-13(2)18(12)3)16(20)8-7-14-5-4-6-15(17)9-14/h4-6,9,12-13H,7-8,10-11H2,1-3H3
InChIKeyVXFOGIMWXATNLT-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.31
Rot. Bonds3

About 3-(3-fluorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one

3-(3-fluorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one (PubChem CID 110662361) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
PubChem CID110662361
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name3-(3-fluorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
SMILESCC1CN(C(=O)CCc2cccc(F)c2)CC(C)N1C
InChIInChI=1S/C16H23FN2O/c1-12-10-19(11-13(2)18(12)3)16(20)8-7-14-5-4-6-15(17)9-14/h4-6,9,12-13H,7-8,10-11H2,1-3H3
InChIKeyVXFOGIMWXATNLT-UHFFFAOYSA-N
XLogP2.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(3-fluorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-fluorophenyl)-1-[(3S,5R)-4-[[4-(2-hydroxyacetyl)phenyl]methyl]-3,5-dimethylpiperazin-1-yl]propan-1-one
CID 158489418
1-[(5aS,8aR)-3,3-dimethyl-1,5,5a,6,8,8a-hexahydro-[1,3]dioxepino[5,6-c]pyrrol-7-yl]-3-(3-fluorophenyl)propan-1-one
CID 167880194
1-[4-[3-(3-fluorophenyl)propanoyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110604587
N-[(3S,4R)-1-[3-(3-fluorophenyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
CID 70731741
3-(3-fluorophenyl)-1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110670217
3-(3-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 82297475
1-(4-cyclopropylpiperazin-1-yl)-3-(3-fluorophenyl)propan-1-one
CID 86853553
(3-fluorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662297
3-(3-fluorophenyl)-1-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]propan-1-one
CID 96576957
N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
CID 110726946
2-(3-fluorophenyl)-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethanone
CID 110662498
3-(3-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110604595

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(3-fluorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one (CID 110662361) is 3-(3-fluorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(3-fluorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(3-fluorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one is CC1CN(C(=O)CCc2cccc(F)c2)CC(C)N1C.
What is the InChIKey of 3-(3-fluorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one?
The InChIKey is VXFOGIMWXATNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-12-10-19(11-13(2)18(12)3)16(20)8-7-14-5-4-6-15(17)9-14/h4-6,9,12-13H,7-8,10-11H2,1-3H3.
What are the key properties of 3-(3-fluorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one?
3-(3-fluorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one has a molecular weight of 278.37 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 110662361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).