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

C15H25N3O3 — CID 79916937

IUPAC3-methyl-2-[(4-methylmorpholin-2-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCC1C(=O)N2CCCCC2C(=O)N1CC1CN(C)CCO1
InChIInChI=1S/C15H25N3O3/c1-11-14(19)17-6-4-3-5-13(17)15(20)18(11)10-12-9-16(2)7-8-21-12/h11-13H,3-10H2,1-2H3
InChIKeyBYAZUPZMHLJOSA-UHFFFAOYSA-N
MW295.38 g/mol
LogP-0.07
Rot. Bonds2

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

3-methyl-2-[(4-methylmorpholin-2-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 79916937) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-methyl-2-[(4-methylmorpholin-2-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name3-methyl-2-[(4-methylmorpholin-2-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
PubChem CID79916937
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name3-methyl-2-[(4-methylmorpholin-2-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCC1C(=O)N2CCCCC2C(=O)N1CC1CN(C)CCO1
InChIInChI=1S/C15H25N3O3/c1-11-14(19)17-6-4-3-5-13(17)15(20)18(11)10-12-9-16(2)7-8-21-12/h11-13H,3-10H2,1-2H3
InChIKeyBYAZUPZMHLJOSA-UHFFFAOYSA-N
XLogP-0.07
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-(oxan-4-ylmethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 115824999
3-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 106421935
3-methyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione
CID 79078126
1-[(4-methylmorpholin-2-yl)methyl]piperidine-2-carbaldehyde
CID 79182740
5-methyl-3-[(4-methylmorpholin-2-yl)methyl]-2-propylimidazolidin-4-one
CID 83259028
1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one
CID 116622203
3-[(4-methylmorpholin-2-yl)methyl]imidazolidine-2,4-dione
CID 103936187
5-methyl-1-[(4-methylmorpholin-2-yl)methyl]-1,3-diazinane-2,4-dione
CID 79777205
3-methyl-2-(thiolan-2-ylmethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 80587069
3,3-diethyl-6-methyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione
CID 79070914
(3R,10S)-1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione
CID 97436024
3-ethyl-3,6-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione
CID 79078125

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(4-methylmorpholin-2-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 3-methyl-2-[(4-methylmorpholin-2-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (CID 79916937) is 3-methyl-2-[(4-methylmorpholin-2-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 3-methyl-2-[(4-methylmorpholin-2-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 3-methyl-2-[(4-methylmorpholin-2-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is CC1C(=O)N2CCCCC2C(=O)N1CC1CN(C)CCO1.
What is the InChIKey of 3-methyl-2-[(4-methylmorpholin-2-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is BYAZUPZMHLJOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-11-14(19)17-6-4-3-5-13(17)15(20)18(11)10-12-9-16(2)7-8-21-12/h11-13H,3-10H2,1-2H3.
What are the key properties of 3-methyl-2-[(4-methylmorpholin-2-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
3-methyl-2-[(4-methylmorpholin-2-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione has a molecular weight of 295.38 g/mol, XLogP of -0.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(4-methylmorpholin-2-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79916937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).