1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one

C18H20FN3O3 — CID 146243054

IUPAC1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one
SMILESO=c1c(N2CC3(COC3)C2)nc(CCCO)cn1-c1ccc(F)cc1
InChIInChI=1S/C18H20FN3O3/c19-13-3-5-15(6-4-13)22-8-14(2-1-7-23)20-16(17(22)24)21-9-18(10-21)11-25-12-18/h3-6,8,23H,1-2,7,9-12H2
InChIKeyNLIOYXIACFBJED-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.13
Rot. Bonds5

About 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one

1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one (PubChem CID 146243054) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one
PubChem CID146243054
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one
SMILESO=c1c(N2CC3(COC3)C2)nc(CCCO)cn1-c1ccc(F)cc1
InChIInChI=1S/C18H20FN3O3/c19-13-3-5-15(6-4-13)22-8-14(2-1-7-23)20-16(17(22)24)21-9-18(10-21)11-25-12-18/h3-6,8,23H,1-2,7,9-12H2
InChIKeyNLIOYXIACFBJED-UHFFFAOYSA-N
XLogP1.13
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-3-[(5R)-5-fluoro-5-(hydroxymethyl)-2-oxa-7-azaspiro[3.4]octan-7-yl]quinoxalin-2-one
CID 177664170
3-[4-(4-Fluorophenyl)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-5-oxopyrazin-2-yl]propanal
CID 146243049
Ethyl 3-[4-(4-fluorophenyl)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-5-oxopyrazin-2-yl]propanoate
CID 146243061
4-[4-(4-Fluorophenyl)-6-(3-hydroxypropyl)-3-oxopyrazin-2-yl]piperazine-1-carboxylic acid
CID 146243066
1-(4-Fluorophenyl)-5-(3-hydroxypropyl)-3-piperidin-1-ylpyrazin-2-one
CID 146243096
(E)-3-[4-(4-fluorophenyl)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-5-oxopyrazin-2-yl]prop-2-enoic acid
CID 146243102
1-(4-Fluorophenyl)-5-(3-hydroxypropyl)-3-morpholin-4-ylpyrazin-2-one
CID 146251809
1-(4-Fluorophenyl)-5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-one
CID 146251830
Tert-butyl 4-[4-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-oxopyrazin-2-yl]piperazine-1-carboxylate
CID 146251843
1-(4-Fluorophenyl)-5-(3-hydroxypropyl)-3-(4-methylsulfanylpiperazin-1-yl)pyrazin-2-one
CID 146251973
ethyl (E)-3-[4-(4-fluorophenyl)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-5-oxopyrazin-2-yl]prop-2-enoate
CID 146252072
5-(3-Aminopropyl)-1-(4-fluorophenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one
CID 170123763

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one (CID 146243054) is 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one is O=c1c(N2CC3(COC3)C2)nc(CCCO)cn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one?
The InChIKey is NLIOYXIACFBJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c19-13-3-5-15(6-4-13)22-8-14(2-1-7-23)20-16(17(22)24)21-9-18(10-21)11-25-12-18/h3-6,8,23H,1-2,7,9-12H2.
What are the key properties of 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one?
1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one has a molecular weight of 345.37 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one is sourced from PubChem (CID 146243054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).