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

C13H23N3O — CID 127595707

IUPAC3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)piperidin-2-one
SMILESO=C1NCCCC1N1CCN2CCCCC2C1
InChIInChI=1S/C13H23N3O/c17-13-12(5-3-6-14-13)16-9-8-15-7-2-1-4-11(15)10-16/h11-12H,1-10H2,(H,14,17)
InChIKeyVNCACTFVHSAODZ-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.44
Rot. Bonds1

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

3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)piperidin-2-one (PubChem CID 127595707) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)piperidin-2-one.

Molecular Properties

Compound Name3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)piperidin-2-one
PubChem CID127595707
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)piperidin-2-one
SMILESO=C1NCCCC1N1CCN2CCCCC2C1
InChIInChI=1S/C13H23N3O/c17-13-12(5-3-6-14-13)16-9-8-15-7-2-1-4-11(15)10-16/h11-12H,1-10H2,(H,14,17)
InChIKeyVNCACTFVHSAODZ-UHFFFAOYSA-N
XLogP0.44
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)piperidin-2-one?
The IUPAC name of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)piperidin-2-one (CID 127595707) is 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)piperidin-2-one.
What is the SMILES notation for 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)piperidin-2-one?
The canonical SMILES for 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)piperidin-2-one is O=C1NCCCC1N1CCN2CCCCC2C1.
What is the InChIKey of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)piperidin-2-one?
The InChIKey is VNCACTFVHSAODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c17-13-12(5-3-6-14-13)16-9-8-15-7-2-1-4-11(15)10-16/h11-12H,1-10H2,(H,14,17).
What are the key properties of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)piperidin-2-one?
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)piperidin-2-one has a molecular weight of 237.35 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)piperidin-2-one is sourced from PubChem (CID 127595707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).