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

C19H21FN2O2S — CID 130252837

IUPAC1-[4-[4-(4-ethyl-3-fluorophenyl)thiophene-2-carbonyl]piperazin-1-yl]ethanone
SMILESCCc1ccc(-c2csc(C(=O)N3CCN(C(C)=O)CC3)c2)cc1F
InChIInChI=1S/C19H21FN2O2S/c1-3-14-4-5-15(10-17(14)20)16-11-18(25-12-16)19(24)22-8-6-21(7-9-22)13(2)23/h4-5,10-12H,3,6-9H2,1-2H3
InChIKeyIINOGXKRPFWVDI-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.42
Rot. Bonds3

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

1-[4-[4-(4-ethyl-3-fluorophenyl)thiophene-2-carbonyl]piperazin-1-yl]ethanone (PubChem CID 130252837) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is 1-[4-[4-(4-ethyl-3-fluorophenyl)thiophene-2-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(4-ethyl-3-fluorophenyl)thiophene-2-carbonyl]piperazin-1-yl]ethanone
PubChem CID130252837
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC Name1-[4-[4-(4-ethyl-3-fluorophenyl)thiophene-2-carbonyl]piperazin-1-yl]ethanone
SMILESCCc1ccc(-c2csc(C(=O)N3CCN(C(C)=O)CC3)c2)cc1F
InChIInChI=1S/C19H21FN2O2S/c1-3-14-4-5-15(10-17(14)20)16-11-18(25-12-16)19(24)22-8-6-21(7-9-22)13(2)23/h4-5,10-12H,3,6-9H2,1-2H3
InChIKeyIINOGXKRPFWVDI-UHFFFAOYSA-N
XLogP3.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-cyano-3-[2-fluoro-4-[5-(4-propan-2-ylpiperazine-1-carbonyl)thiophen-3-yl]phenyl]propyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 123912712
(1R,3S,4S)-N-[(1S)-1-cyano-2-[2-fluoro-4-[5-(4-methyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 90430672
tert-butyl (1R,3S,4S)-3-[[(1S)-1-cyano-2-[2-fluoro-4-[5-[4-(2-methoxyethyl)piperazine-1-carbonyl]thiophen-3-yl]phenyl]ethyl]carbamoyl]-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 90430660
1-[3-(4-ethyl-3-fluorophenyl)-5-methylpyrazol-1-yl]ethanone
CID 130439709
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
(4-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 68701618
1-(4-phenylthiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 45341237
1-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]ethanone
CID 110762207
(4-ethylpiperazin-1-yl)-(4-sulfanylthiophen-2-yl)methanone
CID 107021585
[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 55716288
4-(4-fluorophenyl)thiophene-2-carboxylic acid
CID 46313145
ethyl 1-[4-(3,4-dimethoxyphenyl)thiophene-2-carbonyl]piperidine-3-carboxylate
CID 71818294

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-ethyl-3-fluorophenyl)thiophene-2-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(4-ethyl-3-fluorophenyl)thiophene-2-carbonyl]piperazin-1-yl]ethanone (CID 130252837) is 1-[4-[4-(4-ethyl-3-fluorophenyl)thiophene-2-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(4-ethyl-3-fluorophenyl)thiophene-2-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(4-ethyl-3-fluorophenyl)thiophene-2-carbonyl]piperazin-1-yl]ethanone is CCc1ccc(-c2csc(C(=O)N3CCN(C(C)=O)CC3)c2)cc1F.
What is the InChIKey of 1-[4-[4-(4-ethyl-3-fluorophenyl)thiophene-2-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is IINOGXKRPFWVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c1-3-14-4-5-15(10-17(14)20)16-11-18(25-12-16)19(24)22-8-6-21(7-9-22)13(2)23/h4-5,10-12H,3,6-9H2,1-2H3.
What are the key properties of 1-[4-[4-(4-ethyl-3-fluorophenyl)thiophene-2-carbonyl]piperazin-1-yl]ethanone?
1-[4-[4-(4-ethyl-3-fluorophenyl)thiophene-2-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 360.45 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-ethyl-3-fluorophenyl)thiophene-2-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 130252837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).