1-[4-[4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone

C20H23FN2O2S — CID 17448046

IUPAC1-[4-[4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone
SMILESCCc1cc(C(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)sc1C
InChIInChI=1S/C20H23FN2O2S/c1-4-15-12-19(26-14(15)3)20(25)23-9-7-22(8-10-23)18-6-5-16(13(2)24)11-17(18)21/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyRJGHSGQBPWMWDB-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.92
Rot. Bonds4

About 1-[4-[4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone

1-[4-[4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone (PubChem CID 17448046) has the molecular formula C20H23FN2O2S and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-[4-[4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone
PubChem CID17448046
Molecular FormulaC20H23FN2O2S
Molecular Weight374.48 g/mol
Exact Mass374.15
IUPAC Name1-[4-[4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone
SMILESCCc1cc(C(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)sc1C
InChIInChI=1S/C20H23FN2O2S/c1-4-15-12-19(26-14(15)3)20(25)23-9-7-22(8-10-23)18-6-5-16(13(2)24)11-17(18)21/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyRJGHSGQBPWMWDB-UHFFFAOYSA-N
XLogP3.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-(1,5-dimethylpyrrole-2-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone
CID 31668550
1-[3-fluoro-4-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 17400897
[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 55716288
1-[3-fluoro-4-[4-(3-methylbenzoyl)piperazin-1-yl]phenyl]ethanone
CID 18098126
azepan-1-yl-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 60634850
[4-(3-chlorophenyl)piperazin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 9146285
1-[4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone
CID 599707
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 9370334
1-[4-[4-(3-aminobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone;dihydrochloride
CID 119836988
1-[4-[4-(2,3-dihydro-1,4-dioxine-5-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone
CID 24552330
1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-4-(5-chlorothiophen-2-yl)butane-1,4-dione
CID 26959832
3-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-one
CID 51115730

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone?
The IUPAC name of 1-[4-[4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone (CID 17448046) is 1-[4-[4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone?
The canonical SMILES for 1-[4-[4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone is CCc1cc(C(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)sc1C.
What is the InChIKey of 1-[4-[4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone?
The InChIKey is RJGHSGQBPWMWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2S/c1-4-15-12-19(26-14(15)3)20(25)23-9-7-22(8-10-23)18-6-5-16(13(2)24)11-17(18)21/h5-6,11-12H,4,7-10H2,1-3H3.
What are the key properties of 1-[4-[4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone?
1-[4-[4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone has a molecular weight of 374.48 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone is sourced from PubChem (CID 17448046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).