1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-piperidin-1-ylpyrazin-2-one

C18H22FN3O2 — CID 146243096

IUPAC1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-piperidin-1-ylpyrazin-2-one
SMILESO=c1c(N2CCCCC2)nc(CCCO)cn1-c1ccc(F)cc1
InChIInChI=1S/C18H22FN3O2/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/h6-9,13,23H,1-5,10-12H2
InChIKeyVDFYFCHNMYAFEE-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.29
Rot. Bonds5

About 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-piperidin-1-ylpyrazin-2-one

1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-piperidin-1-ylpyrazin-2-one (PubChem CID 146243096) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-piperidin-1-ylpyrazin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-piperidin-1-ylpyrazin-2-one
PubChem CID146243096
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-piperidin-1-ylpyrazin-2-one
SMILESO=c1c(N2CCCCC2)nc(CCCO)cn1-c1ccc(F)cc1
InChIInChI=1S/C18H22FN3O2/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/h6-9,13,23H,1-5,10-12H2
InChIKeyVDFYFCHNMYAFEE-UHFFFAOYSA-N
XLogP2.29
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-(4-(4-fluorophenyl)piperazin-1-yl)-2-oxoethyl)-6-propylpyrimidin-4(3H)-one
CID 45535033
2-[3-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxopyrazin-1-yl]-N-phenylacetamide
CID 177665582
1-[4-(2-Fluorophenyl)piperazin-1-yl]-2-(3-hydroxypiperidin-1-yl)ethanone
CID 45769236
3-[3-Fluoro-4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-2,6-dimethylpyrimidin-4-one
CID 72948942
3-(3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl)-2,6-dimethylpyrimidin-4(3H)-one
CID 72949118
4-[4-(4-fluorophenyl)piperazin-1-yl]-1-(hydroxymethyl)-1,3,5-triazin-2(1H)-one
CID 117839609
6-[4-(4-Fluorophenyl)piperazin-1-yl]-3-(4-hydroxybutyl)-2-methyl-5-nitropyrimidin-4-one
CID 140009495
2-[Bis(2-hydroxyethyl)amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 141142943
4-(7-Fluoro-3-oxo-4-phenylquinoxalin-2-yl)piperazine-1-carboxylic acid
CID 143180225
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
Ethyl 3-[4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanoate
CID 146242982

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-piperidin-1-ylpyrazin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-piperidin-1-ylpyrazin-2-one (CID 146243096) is 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-piperidin-1-ylpyrazin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-piperidin-1-ylpyrazin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-piperidin-1-ylpyrazin-2-one is O=c1c(N2CCCCC2)nc(CCCO)cn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-piperidin-1-ylpyrazin-2-one?
The InChIKey is VDFYFCHNMYAFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/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/h6-9,13,23H,1-5,10-12H2.
What are the key properties of 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-piperidin-1-ylpyrazin-2-one?
1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-piperidin-1-ylpyrazin-2-one has a molecular weight of 331.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-piperidin-1-ylpyrazin-2-one is sourced from PubChem (CID 146243096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).