2-(2-hydroxy-3-piperazin-1-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C14H26N4O2 — CID 82863355

IUPAC2-(2-hydroxy-3-piperazin-1-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C1CCC2CN(CC(O)CN3CCNCC3)CCN12
InChIInChI=1S/C14H26N4O2/c19-13(10-16-5-3-15-4-6-16)11-17-7-8-18-12(9-17)1-2-14(18)20/h12-13,15,19H,1-11H2
InChIKeyOOGRDFDGXABEFZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP-1.44
Rot. Bonds4

About 2-(2-hydroxy-3-piperazin-1-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

2-(2-hydroxy-3-piperazin-1-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82863355) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(2-hydroxy-3-piperazin-1-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-(2-hydroxy-3-piperazin-1-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82863355
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name2-(2-hydroxy-3-piperazin-1-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C1CCC2CN(CC(O)CN3CCNCC3)CCN12
InChIInChI=1S/C14H26N4O2/c19-13(10-16-5-3-15-4-6-16)11-17-7-8-18-12(9-17)1-2-14(18)20/h12-13,15,19H,1-11H2
InChIKeyOOGRDFDGXABEFZ-UHFFFAOYSA-N
XLogP-1.44
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-piperazin-1-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-(2-hydroxy-3-piperazin-1-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82863355) is 2-(2-hydroxy-3-piperazin-1-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-(2-hydroxy-3-piperazin-1-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-(2-hydroxy-3-piperazin-1-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is O=C1CCC2CN(CC(O)CN3CCNCC3)CCN12.
What is the InChIKey of 2-(2-hydroxy-3-piperazin-1-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is OOGRDFDGXABEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c19-13(10-16-5-3-15-4-6-16)11-17-7-8-18-12(9-17)1-2-14(18)20/h12-13,15,19H,1-11H2.
What are the key properties of 2-(2-hydroxy-3-piperazin-1-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-(2-hydroxy-3-piperazin-1-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 282.39 g/mol, XLogP of -1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-piperazin-1-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82863355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).