1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-piperazin-1-ylethane-1,2-dione

C15H26N4O2 — CID 79917609

IUPAC1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-piperazin-1-ylethane-1,2-dione
SMILESCC1CN2CCCCC2CN1C(=O)C(=O)N1CCNCC1
InChIInChI=1S/C15H26N4O2/c1-12-10-18-7-3-2-4-13(18)11-19(12)15(21)14(20)17-8-5-16-6-9-17/h12-13,16H,2-11H2,1H3
InChIKeyOXUTYVMXTHERRB-UHFFFAOYSA-N
MW294.40 g/mol
LogP-0.50
Rot. Bonds

About 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-piperazin-1-ylethane-1,2-dione

1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-piperazin-1-ylethane-1,2-dione (PubChem CID 79917609) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-piperazin-1-ylethane-1,2-dione.

Molecular Properties

Compound Name1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-piperazin-1-ylethane-1,2-dione
PubChem CID79917609
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-piperazin-1-ylethane-1,2-dione
SMILESCC1CN2CCCCC2CN1C(=O)C(=O)N1CCNCC1
InChIInChI=1S/C15H26N4O2/c1-12-10-18-7-3-2-4-13(18)11-19(12)15(21)14(20)17-8-5-16-6-9-17/h12-13,16H,2-11H2,1H3
InChIKeyOXUTYVMXTHERRB-UHFFFAOYSA-N
XLogP-0.50
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-piperazin-1-ylethane-1,2-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-piperazin-1-ylethane-1,2-dione?
The IUPAC name of 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-piperazin-1-ylethane-1,2-dione (CID 79917609) is 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-piperazin-1-ylethane-1,2-dione.
What is the SMILES notation for 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-piperazin-1-ylethane-1,2-dione?
The canonical SMILES for 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-piperazin-1-ylethane-1,2-dione is CC1CN2CCCCC2CN1C(=O)C(=O)N1CCNCC1.
What is the InChIKey of 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-piperazin-1-ylethane-1,2-dione?
The InChIKey is OXUTYVMXTHERRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-12-10-18-7-3-2-4-13(18)11-19(12)15(21)14(20)17-8-5-16-6-9-17/h12-13,16H,2-11H2,1H3.
What are the key properties of 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-piperazin-1-ylethane-1,2-dione?
1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-piperazin-1-ylethane-1,2-dione has a molecular weight of 294.40 g/mol, XLogP of -0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-piperazin-1-ylethane-1,2-dione is sourced from PubChem (CID 79917609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).