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

C15H26N2O3 — CID 79932486

IUPAC3-ethyl-2-(4-methoxybutan-2-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCCC1C(=O)N2CCCCC2C(=O)N1C(C)CCOC
InChIInChI=1S/C15H26N2O3/c1-4-12-14(18)16-9-6-5-7-13(16)15(19)17(12)11(2)8-10-20-3/h11-13H,4-10H2,1-3H3
InChIKeyVQFIGRMLFVMWPR-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.41
Rot. Bonds5

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

3-ethyl-2-(4-methoxybutan-2-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 79932486) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-ethyl-2-(4-methoxybutan-2-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name3-ethyl-2-(4-methoxybutan-2-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
PubChem CID79932486
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-ethyl-2-(4-methoxybutan-2-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCCC1C(=O)N2CCCCC2C(=O)N1C(C)CCOC
InChIInChI=1S/C15H26N2O3/c1-4-12-14(18)16-9-6-5-7-13(16)15(19)17(12)11(2)8-10-20-3/h11-13H,4-10H2,1-3H3
InChIKeyVQFIGRMLFVMWPR-UHFFFAOYSA-N
XLogP1.41
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-2-(5-methylhexan-2-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79916238
2-hexan-2-yl-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79916679
6-ethyl-1-(4-methoxybutan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64973001
3-ethyl-1-(4-methoxybutan-2-yl)-1,4-diazepane-2,5-dione
CID 64972967
2-(3-methoxypropyl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932638
2-tert-butyl-3-ethyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932366
2-ethyl-6,7,8,8a-tetrahydro-5H-indolizine-1,3-dione
CID 139702649
2-pentan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79930203
3-ethyl-2-(3-methylbutyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944241
2-(cyclopentylmethyl)-3-ethyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932299
3-methyl-2-(6-methylheptan-2-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944980
3-cyclopropyl-1-(4-methoxybutan-2-yl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 116500131

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(4-methoxybutan-2-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 3-ethyl-2-(4-methoxybutan-2-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (CID 79932486) is 3-ethyl-2-(4-methoxybutan-2-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 3-ethyl-2-(4-methoxybutan-2-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 3-ethyl-2-(4-methoxybutan-2-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is CCC1C(=O)N2CCCCC2C(=O)N1C(C)CCOC.
What is the InChIKey of 3-ethyl-2-(4-methoxybutan-2-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is VQFIGRMLFVMWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-4-12-14(18)16-9-6-5-7-13(16)15(19)17(12)11(2)8-10-20-3/h11-13H,4-10H2,1-3H3.
What are the key properties of 3-ethyl-2-(4-methoxybutan-2-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
3-ethyl-2-(4-methoxybutan-2-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione has a molecular weight of 282.38 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(4-methoxybutan-2-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79932486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).