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

C13H23N3O3 — CID 79941152

IUPAC2-(3-amino-2-ethoxypropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCCOC(CN)CN1CC(=O)N2CCCCC2C1=O
InChIInChI=1S/C13H23N3O3/c1-2-19-10(7-14)8-15-9-12(17)16-6-4-3-5-11(16)13(15)18/h10-11H,2-9,14H2,1H3
InChIKeyKJVDXCALNYHWNN-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.43
Rot. Bonds5

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

2-(3-amino-2-ethoxypropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 79941152) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(3-amino-2-ethoxypropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-(3-amino-2-ethoxypropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
PubChem CID79941152
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-(3-amino-2-ethoxypropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCCOC(CN)CN1CC(=O)N2CCCCC2C1=O
InChIInChI=1S/C13H23N3O3/c1-2-19-10(7-14)8-15-9-12(17)16-6-4-3-5-11(16)13(15)18/h10-11H,2-9,14H2,1H3
InChIKeyKJVDXCALNYHWNN-UHFFFAOYSA-N
XLogP-0.43
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-(2-amino-2-cyclopentylethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 104747943
2-[(2R)-2-hydroxypropyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 103935423
2-(2-amino-2-cyclopropylethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79941088
2-(4-aminobutyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79941227
2-(4-propan-2-yloxybutyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 106009063
2-octyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 115565161
2-acetamido-3-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)propanoic acid
CID 79926747
2-[(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)methyl]-3,3,3-trifluoropropanenitrile
CID 103368168
4-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)-2-ethylbut-2-enoic acid
CID 79941307
2-(2-cyclopentyl-2-oxoethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 113448954
1-(3-amino-2-ethoxypropyl)-4-tert-butylpyrrolidin-2-one
CID 104511049
2-(3-oxobutyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79941128

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-ethoxypropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2-(3-amino-2-ethoxypropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (CID 79941152) is 2-(3-amino-2-ethoxypropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 2-(3-amino-2-ethoxypropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-(3-amino-2-ethoxypropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is CCOC(CN)CN1CC(=O)N2CCCCC2C1=O.
What is the InChIKey of 2-(3-amino-2-ethoxypropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is KJVDXCALNYHWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-2-19-10(7-14)8-15-9-12(17)16-6-4-3-5-11(16)13(15)18/h10-11H,2-9,14H2,1H3.
What are the key properties of 2-(3-amino-2-ethoxypropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
2-(3-amino-2-ethoxypropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione has a molecular weight of 269.34 g/mol, XLogP of -0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-ethoxypropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79941152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).