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

C15H26N2O3 — CID 79932638

IUPAC2-(3-methoxypropyl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCOCCCN1C(=O)C2CCCCN2C(=O)C1C(C)C
InChIInChI=1S/C15H26N2O3/c1-11(2)13-15(19)16-8-5-4-7-12(16)14(18)17(13)9-6-10-20-3/h11-13H,4-10H2,1-3H3
InChIKeyWLRJWJLOHXUTGN-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.27
Rot. Bonds5

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

2-(3-methoxypropyl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 79932638) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-(3-methoxypropyl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
PubChem CID79932638
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-(3-methoxypropyl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCOCCCN1C(=O)C2CCCCN2C(=O)C1C(C)C
InChIInChI=1S/C15H26N2O3/c1-11(2)13-15(19)16-8-5-4-7-12(16)14(18)17(13)9-6-10-20-3/h11-13H,4-10H2,1-3H3
InChIKeyWLRJWJLOHXUTGN-UHFFFAOYSA-N
XLogP1.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2-(3-methoxypropyl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (CID 79932638) is 2-(3-methoxypropyl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 2-(3-methoxypropyl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-(3-methoxypropyl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is COCCCN1C(=O)C2CCCCN2C(=O)C1C(C)C.
What is the InChIKey of 2-(3-methoxypropyl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is WLRJWJLOHXUTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11(2)13-15(19)16-8-5-4-7-12(16)14(18)17(13)9-6-10-20-3/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-(3-methoxypropyl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
2-(3-methoxypropyl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione has a molecular weight of 282.38 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79932638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).