3-ethyl-2-(4-fluorophenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

C16H19FN2O2 — CID 79917326

IUPAC3-ethyl-2-(4-fluorophenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCCC1C(=O)N2CCCCC2C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C16H19FN2O2/c1-2-13-15(20)18-10-4-3-5-14(18)16(21)19(13)12-8-6-11(17)7-9-12/h6-9,13-14H,2-5,10H2,1H3
InChIKeyGNXBAPXZVLCWNR-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.33
Rot. Bonds2

About 3-ethyl-2-(4-fluorophenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

3-ethyl-2-(4-fluorophenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 79917326) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-ethyl-2-(4-fluorophenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name3-ethyl-2-(4-fluorophenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
PubChem CID79917326
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name3-ethyl-2-(4-fluorophenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCCC1C(=O)N2CCCCC2C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C16H19FN2O2/c1-2-13-15(20)18-10-4-3-5-14(18)16(21)19(13)12-8-6-11(17)7-9-12/h6-9,13-14H,2-5,10H2,1H3
InChIKeyGNXBAPXZVLCWNR-UHFFFAOYSA-N
XLogP2.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(4-fluorophenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 3-ethyl-2-(4-fluorophenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (CID 79917326) is 3-ethyl-2-(4-fluorophenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 3-ethyl-2-(4-fluorophenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 3-ethyl-2-(4-fluorophenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is CCC1C(=O)N2CCCCC2C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 3-ethyl-2-(4-fluorophenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is GNXBAPXZVLCWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-2-13-15(20)18-10-4-3-5-14(18)16(21)19(13)12-8-6-11(17)7-9-12/h6-9,13-14H,2-5,10H2,1H3.
What are the key properties of 3-ethyl-2-(4-fluorophenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
3-ethyl-2-(4-fluorophenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione has a molecular weight of 290.34 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(4-fluorophenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79917326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).