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

C16H26N2O2 — CID 79929325

IUPAC2-[(2-methylcyclohexyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCC1CCCCC1CN1CC(=O)N2CCCCC2C1=O
InChIInChI=1S/C16H26N2O2/c1-12-6-2-3-7-13(12)10-17-11-15(19)18-9-5-4-8-14(18)16(17)20/h12-14H,2-11H2,1H3
InChIKeyFDTHITUUNLYKMH-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.04
Rot. Bonds2

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

2-[(2-methylcyclohexyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 79929325) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[(2-methylcyclohexyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-[(2-methylcyclohexyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
PubChem CID79929325
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[(2-methylcyclohexyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCC1CCCCC1CN1CC(=O)N2CCCCC2C1=O
InChIInChI=1S/C16H26N2O2/c1-12-6-2-3-7-13(12)10-17-11-15(19)18-9-5-4-8-14(18)16(17)20/h12-14H,2-11H2,1H3
InChIKeyFDTHITUUNLYKMH-UHFFFAOYSA-N
XLogP2.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclohexyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2-[(2-methylcyclohexyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (CID 79929325) is 2-[(2-methylcyclohexyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 2-[(2-methylcyclohexyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-[(2-methylcyclohexyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is CC1CCCCC1CN1CC(=O)N2CCCCC2C1=O.
What is the InChIKey of 2-[(2-methylcyclohexyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is FDTHITUUNLYKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12-6-2-3-7-13(12)10-17-11-15(19)18-9-5-4-8-14(18)16(17)20/h12-14H,2-11H2,1H3.
What are the key properties of 2-[(2-methylcyclohexyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
2-[(2-methylcyclohexyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione has a molecular weight of 278.40 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclohexyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79929325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).