2-(2-piperidin-4-ylsulfanylacetyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C14H23N3O2S — CID 114627951

IUPAC2-(2-piperidin-4-ylsulfanylacetyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C(CSC1CCNCC1)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C14H23N3O2S/c18-13-2-1-11-9-16(7-8-17(11)13)14(19)10-20-12-3-5-15-6-4-12/h11-12,15H,1-10H2
InChIKeyDCSIARNCHWASTC-UHFFFAOYSA-N
MW297.42 g/mol
LogP0.30
Rot. Bonds3

About 2-(2-piperidin-4-ylsulfanylacetyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

2-(2-piperidin-4-ylsulfanylacetyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 114627951) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-(2-piperidin-4-ylsulfanylacetyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-(2-piperidin-4-ylsulfanylacetyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID114627951
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-(2-piperidin-4-ylsulfanylacetyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C(CSC1CCNCC1)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C14H23N3O2S/c18-13-2-1-11-9-16(7-8-17(11)13)14(19)10-20-12-3-5-15-6-4-12/h11-12,15H,1-10H2
InChIKeyDCSIARNCHWASTC-UHFFFAOYSA-N
XLogP0.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-piperidin-4-ylsulfanylacetyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one with MolForge

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Related Compounds

1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-piperidin-4-ylsulfanylethanone
CID 114627527
2-[2-(3-methylpiperidin-2-yl)acetyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 107147999
2-(4-aminobutanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863221
2-acetyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 58166183
2-(3-amino-4,4-dimethylpentanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82856195
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-piperidin-4-ylsulfanylethanone
CID 114626671
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-piperidin-4-ylsulfanylethanone
CID 114678293
2-piperidin-4-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862742
2-[2-(2-hydroxyphenyl)acetyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863455
2-[2-[(2-methylpropan-2-yl)oxy]acetyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 112605617
2-[3-(4-aminocyclohexyl)propanoyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82858604
2-(piperidine-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862840

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-4-ylsulfanylacetyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-(2-piperidin-4-ylsulfanylacetyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 114627951) is 2-(2-piperidin-4-ylsulfanylacetyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-(2-piperidin-4-ylsulfanylacetyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-(2-piperidin-4-ylsulfanylacetyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is O=C(CSC1CCNCC1)N1CCN2C(=O)CCC2C1.
What is the InChIKey of 2-(2-piperidin-4-ylsulfanylacetyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is DCSIARNCHWASTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c18-13-2-1-11-9-16(7-8-17(11)13)14(19)10-20-12-3-5-15-6-4-12/h11-12,15H,1-10H2.
What are the key properties of 2-(2-piperidin-4-ylsulfanylacetyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-(2-piperidin-4-ylsulfanylacetyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 297.42 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-4-ylsulfanylacetyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 114627951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).