8-methyl-2-piperidin-1-ylsulfonyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one

C13H24N4O3S — CID 50970299

IUPAC8-methyl-2-piperidin-1-ylsulfonyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESCN1CCN2CCN(S(=O)(=O)N3CCCCC3)CC2C1=O
InChIInChI=1S/C13H24N4O3S/c1-14-7-8-15-9-10-17(11-12(15)13(14)18)21(19,20)16-5-3-2-4-6-16/h12H,2-11H2,1H3
InChIKeyFPCURLPFOQMFBJ-UHFFFAOYSA-N
MW316.43 g/mol
LogP-0.82
Rot. Bonds2

About 8-methyl-2-piperidin-1-ylsulfonyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one

8-methyl-2-piperidin-1-ylsulfonyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (PubChem CID 50970299) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is 8-methyl-2-piperidin-1-ylsulfonyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one.

Molecular Properties

Compound Name8-methyl-2-piperidin-1-ylsulfonyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
PubChem CID50970299
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC Name8-methyl-2-piperidin-1-ylsulfonyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESCN1CCN2CCN(S(=O)(=O)N3CCCCC3)CC2C1=O
InChIInChI=1S/C13H24N4O3S/c1-14-7-8-15-9-10-17(11-12(15)13(14)18)21(19,20)16-5-3-2-4-6-16/h12H,2-11H2,1H3
InChIKeyFPCURLPFOQMFBJ-UHFFFAOYSA-N
XLogP-0.82
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-piperidin-1-ylsulfonyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The IUPAC name of 8-methyl-2-piperidin-1-ylsulfonyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (CID 50970299) is 8-methyl-2-piperidin-1-ylsulfonyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one.
What is the SMILES notation for 8-methyl-2-piperidin-1-ylsulfonyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The canonical SMILES for 8-methyl-2-piperidin-1-ylsulfonyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is CN1CCN2CCN(S(=O)(=O)N3CCCCC3)CC2C1=O.
What is the InChIKey of 8-methyl-2-piperidin-1-ylsulfonyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The InChIKey is FPCURLPFOQMFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-14-7-8-15-9-10-17(11-12(15)13(14)18)21(19,20)16-5-3-2-4-6-16/h12H,2-11H2,1H3.
What are the key properties of 8-methyl-2-piperidin-1-ylsulfonyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
8-methyl-2-piperidin-1-ylsulfonyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one has a molecular weight of 316.43 g/mol, XLogP of -0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-piperidin-1-ylsulfonyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is sourced from PubChem (CID 50970299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).