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

C18H20FN3O2 — CID 146243040

IUPAC3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanal
SMILESO=CCCc1cn(-c2ccc(F)cc2)c(=O)c(N2CCCCC2)n1
InChIInChI=1S/C18H20FN3O2/c19-14-6-8-16(9-7-14)22-13-15(5-4-12-23)20-17(18(22)24)21-10-2-1-3-11-21/h6-9,12-13H,1-5,10-11H2
InChIKeyBLLLVSPWPBJWBE-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.49
Rot. Bonds5

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

3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanal (PubChem CID 146243040) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanal.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanal
PubChem CID146243040
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanal
SMILESO=CCCc1cn(-c2ccc(F)cc2)c(=O)c(N2CCCCC2)n1
InChIInChI=1S/C18H20FN3O2/c19-14-6-8-16(9-7-14)22-13-15(5-4-12-23)20-17(18(22)24)21-10-2-1-3-11-21/h6-9,12-13H,1-5,10-11H2
InChIKeyBLLLVSPWPBJWBE-UHFFFAOYSA-N
XLogP2.49
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-Fluorophenyl)piperazin-1-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 2772191
2-[4-(4-fluorophenyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 2772181
3-(2-(4-(4-fluorophenyl)piperazin-1-yl)-2-oxoethyl)-6-propylpyrimidin-4(3H)-one
CID 45535033
1-Ethyl-3-(4-propanoylpiperazin-1-yl)quinoxalin-2-one
CID 50837376
3-(4-butyrylpiperazino)-1-ethyl-2(1H)-quinoxalinone
CID 50837390
3-(4-Propanoylpiperazin-1-YL)-1-propyl-1,2-dihydroquinoxalin-2-one
CID 53131520
3-[4-(2-Methylpropanoyl)piperazin-1-YL]-1-propyl-1,2-dihydroquinoxalin-2-one
CID 53131523
N-(2-chloro-4,6-dimethoxyphenyl)-2-oxo-2-(1H-pyrrol-2-yl)acetamide
CID 53131562
1-Isobutyl-3-(4-isobutyrylpiperazino)-2(1H)-quinoxalinone
CID 53131565
2-[4-(2-Fluorophenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 2985739
3-(2-(4-(4-fluorophenyl)piperazin-1-yl)-2-oxoethyl)-6-isopropylpyrimidin-4(3H)-one
CID 45535198
2-[[4-(2-Fluorophenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 51210443

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanal?
The IUPAC name of 3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanal (CID 146243040) is 3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanal.
What is the SMILES notation for 3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanal?
The canonical SMILES for 3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanal is O=CCCc1cn(-c2ccc(F)cc2)c(=O)c(N2CCCCC2)n1.
What is the InChIKey of 3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanal?
The InChIKey is BLLLVSPWPBJWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c19-14-6-8-16(9-7-14)22-13-15(5-4-12-23)20-17(18(22)24)21-10-2-1-3-11-21/h6-9,12-13H,1-5,10-11H2.
What are the key properties of 3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanal?
3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanal has a molecular weight of 329.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanal is sourced from PubChem (CID 146243040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).