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

C16H30N4O — CID 79919066

IUPAC1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1CC2CCCCN2CC1C)N1CCNCC1
InChIInChI=1S/C16H30N4O/c1-13-11-19-8-4-3-5-15(19)12-20(13)16(21)14(2)18-9-6-17-7-10-18/h13-15,17H,3-12H2,1-2H3
InChIKeyOVOYEZNJDNTIMS-UHFFFAOYSA-N
MW294.44 g/mol
LogP0.37
Rot. Bonds2

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

1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-piperazin-1-ylpropan-1-one (PubChem CID 79919066) has the molecular formula C16H30N4O and a molecular weight of 294.44 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-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-piperazin-1-ylpropan-1-one
PubChem CID79919066
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1CC2CCCCN2CC1C)N1CCNCC1
InChIInChI=1S/C16H30N4O/c1-13-11-19-8-4-3-5-15(19)12-20(13)16(21)14(2)18-9-6-17-7-10-18/h13-15,17H,3-12H2,1-2H3
InChIKeyOVOYEZNJDNTIMS-UHFFFAOYSA-N
XLogP0.37
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-ylpropan-1-one?
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-ylpropan-1-one (CID 79919066) is 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-piperazin-1-ylpropan-1-one.
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-ylpropan-1-one?
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-ylpropan-1-one is CC(C(=O)N1CC2CCCCN2CC1C)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-ylpropan-1-one?
The InChIKey is OVOYEZNJDNTIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-13-11-19-8-4-3-5-15(19)12-20(13)16(21)14(2)18-9-6-17-7-10-18/h13-15,17H,3-12H2,1-2H3.
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-ylpropan-1-one?
1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-piperazin-1-ylpropan-1-one has a molecular weight of 294.44 g/mol, XLogP of 0.37, 2 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-ylpropan-1-one is sourced from PubChem (CID 79919066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).