2-(3-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone

C17H19FN2OS — CID 110709212

IUPAC2-(3-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C17H19FN2OS/c18-15-4-1-3-14(11-15)12-17(21)20-8-6-19(7-9-20)13-16-5-2-10-22-16/h1-5,10-11H,6-9,12-13H2
InChIKeyVLWZTLWWAYXAIV-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.77
Rot. Bonds4

About 2-(3-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone

2-(3-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 110709212) has the molecular formula C17H19FN2OS and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
PubChem CID110709212
Molecular FormulaC17H19FN2OS
Molecular Weight318.42 g/mol
Exact Mass318.12
IUPAC Name2-(3-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C17H19FN2OS/c18-15-4-1-3-14(11-15)12-17(21)20-8-6-19(7-9-20)13-16-5-2-10-22-16/h1-5,10-11H,6-9,12-13H2
InChIKeyVLWZTLWWAYXAIV-UHFFFAOYSA-N
XLogP2.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(3-fluorophenyl)acetyl]-1,4-diazepan-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110799345
N-[2-(3-fluorophenyl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 35998814
3-(3-fluorophenyl)-1-[4-(2-thiophen-2-ylacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 110798624
3-(3-fluorophenyl)-1-[4-(3-thiophen-2-ylpropanoyl)piperazin-1-yl]propan-1-one
CID 110604610
2-(3-fluorophenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 113073970
2-(3-fluorophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 9118318
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 828777
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817138
2-sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 146037585
2-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]methyl]-5-hydroxypyran-4-one
CID 75372446
2-(3-fluorophenyl)-1-[4-[[5-(hydroxymethyl)furan-2-yl]methyl]-1,4-diazepan-1-yl]ethanone
CID 138386689
5-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]methyl]-1H-pyridin-2-one
CID 110730705

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone (CID 110709212) is 2-(3-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone is O=C(Cc1cccc(F)c1)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is VLWZTLWWAYXAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2OS/c18-15-4-1-3-14(11-15)12-17(21)20-8-6-19(7-9-20)13-16-5-2-10-22-16/h1-5,10-11H,6-9,12-13H2.
What are the key properties of 2-(3-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?
2-(3-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 318.42 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110709212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).