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

C17H28N2O2 — CID 79916463

IUPAC3-methyl-2-(2-methylcycloheptyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCC1CCCCCC1N1C(=O)C2CCCCN2C(=O)C1C
InChIInChI=1S/C17H28N2O2/c1-12-8-4-3-5-9-14(12)19-13(2)16(20)18-11-7-6-10-15(18)17(19)21/h12-15H,3-11H2,1-2H3
InChIKeyGNIHAAJPLMVTQR-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.57
Rot. Bonds1

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

3-methyl-2-(2-methylcycloheptyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 79916463) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-methyl-2-(2-methylcycloheptyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name3-methyl-2-(2-methylcycloheptyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
PubChem CID79916463
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-methyl-2-(2-methylcycloheptyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCC1CCCCCC1N1C(=O)C2CCCCN2C(=O)C1C
InChIInChI=1S/C17H28N2O2/c1-12-8-4-3-5-9-14(12)19-13(2)16(20)18-11-7-6-10-15(18)17(19)21/h12-15H,3-11H2,1-2H3
InChIKeyGNIHAAJPLMVTQR-UHFFFAOYSA-N
XLogP2.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-methylcycloheptyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 3-methyl-2-(2-methylcycloheptyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (CID 79916463) is 3-methyl-2-(2-methylcycloheptyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 3-methyl-2-(2-methylcycloheptyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 3-methyl-2-(2-methylcycloheptyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is CC1CCCCCC1N1C(=O)C2CCCCN2C(=O)C1C.
What is the InChIKey of 3-methyl-2-(2-methylcycloheptyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is GNIHAAJPLMVTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12-8-4-3-5-9-14(12)19-13(2)16(20)18-11-7-6-10-15(18)17(19)21/h12-15H,3-11H2,1-2H3.
What are the key properties of 3-methyl-2-(2-methylcycloheptyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
3-methyl-2-(2-methylcycloheptyl)-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, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methylcycloheptyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79916463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).