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

C17H28N2O2 — CID 79917136

IUPAC3-ethyl-2-(3-methylcyclohexyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCCC1C(=O)N2CCCCC2C(=O)N1C1CCCC(C)C1
InChIInChI=1S/C17H28N2O2/c1-3-14-16(20)18-10-5-4-9-15(18)17(21)19(14)13-8-6-7-12(2)11-13/h12-15H,3-11H2,1-2H3
InChIKeySKVLWJGRZNSOGJ-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.57
Rot. Bonds2

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

3-ethyl-2-(3-methylcyclohexyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 79917136) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-ethyl-2-(3-methylcyclohexyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name3-ethyl-2-(3-methylcyclohexyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
PubChem CID79917136
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-ethyl-2-(3-methylcyclohexyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCCC1C(=O)N2CCCCC2C(=O)N1C1CCCC(C)C1
InChIInChI=1S/C17H28N2O2/c1-3-14-16(20)18-10-5-4-9-15(18)17(21)19(14)13-8-6-7-12(2)11-13/h12-15H,3-11H2,1-2H3
InChIKeySKVLWJGRZNSOGJ-UHFFFAOYSA-N
XLogP2.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-2-(3-methylcyclohexyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(3-methylcyclohexyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 3-ethyl-2-(3-methylcyclohexyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (CID 79917136) is 3-ethyl-2-(3-methylcyclohexyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 3-ethyl-2-(3-methylcyclohexyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 3-ethyl-2-(3-methylcyclohexyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is CCC1C(=O)N2CCCCC2C(=O)N1C1CCCC(C)C1.
What is the InChIKey of 3-ethyl-2-(3-methylcyclohexyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is SKVLWJGRZNSOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-14-16(20)18-10-5-4-9-15(18)17(21)19(14)13-8-6-7-12(2)11-13/h12-15H,3-11H2,1-2H3.
What are the key properties of 3-ethyl-2-(3-methylcyclohexyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
3-ethyl-2-(3-methylcyclohexyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione has a molecular weight of 292.42 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(3-methylcyclohexyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79917136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).