ethyl 3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanoate

C20H24FN3O3 — CID 146252068

IUPACethyl 3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanoate
SMILESCCOC(=O)CCc1cn(-c2ccc(F)cc2)c(=O)c(N2CCCCC2)n1
InChIInChI=1S/C20H24FN3O3/c1-2-27-18(25)11-8-16-14-24(17-9-6-15(21)7-10-17)20(26)19(22-16)23-12-4-3-5-13-23/h6-7,9-10,14H,2-5,8,11-13H2,1H3
InChIKeyUJFAIYGOFHQWPX-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.86
Rot. Bonds6

About ethyl 3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanoate

ethyl 3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanoate (PubChem CID 146252068) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is ethyl 3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanoate
PubChem CID146252068
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Nameethyl 3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanoate
SMILESCCOC(=O)CCc1cn(-c2ccc(F)cc2)c(=O)c(N2CCCCC2)n1
InChIInChI=1S/C20H24FN3O3/c1-2-27-18(25)11-8-16-14-24(17-9-6-15(21)7-10-17)20(26)19(22-16)23-12-4-3-5-13-23/h6-7,9-10,14H,2-5,8,11-13H2,1H3
InChIKeyUJFAIYGOFHQWPX-UHFFFAOYSA-N
XLogP2.86
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-butyrylpiperazino)-1-ethyl-2(1H)-quinoxalinone
CID 50837390
Methyl 4-{3-[4-(4-fluorophenyl)-1-piperazinyl]-1-piperidinyl}-4-oxobutanoate
CID 45241342
Ethyl 4-(4-(4-fluorophenyl)piperazin-1-yl)-n-butyrate
CID 14879737
4-[6-(3-Ethoxy-3-oxopropyl)-4-(4-fluorophenyl)-3-oxopyrazin-2-yl]piperazine-1-carboxylic acid
CID 146242933
3-[4-(4-Fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanoic acid
CID 146242961
3-[4-(4-Fluorophenyl)-6-(4-methylsulfonylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanal
CID 146242973
Ethyl 3-[4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanoate
CID 146242982
3-[4-(4-Fluorophenyl)-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanal
CID 146243015
Ethyl 3-[4-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanoate
CID 146243021
3-[4-(4-Fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanal
CID 146243040
4-[4-(4-Fluorophenyl)-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylic acid
CID 146243047
Ethyl 3-[4-(4-fluorophenyl)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-5-oxopyrazin-2-yl]propanoate
CID 146243061

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanoate?
The IUPAC name of ethyl 3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanoate (CID 146252068) is ethyl 3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanoate.
What is the SMILES notation for ethyl 3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanoate?
The canonical SMILES for ethyl 3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanoate is CCOC(=O)CCc1cn(-c2ccc(F)cc2)c(=O)c(N2CCCCC2)n1.
What is the InChIKey of ethyl 3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanoate?
The InChIKey is UJFAIYGOFHQWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-2-27-18(25)11-8-16-14-24(17-9-6-15(21)7-10-17)20(26)19(22-16)23-12-4-3-5-13-23/h6-7,9-10,14H,2-5,8,11-13H2,1H3.
What are the key properties of ethyl 3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanoate?
ethyl 3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanoate has a molecular weight of 373.43 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanoate is sourced from PubChem (CID 146252068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).