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

C13H19N3O3 — CID 82863483

IUPAC2-(6-oxopiperidine-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C1CCC(C(=O)N2CCN3C(=O)CCC3C2)CN1
InChIInChI=1S/C13H19N3O3/c17-11-3-1-9(7-14-11)13(19)15-5-6-16-10(8-15)2-4-12(16)18/h9-10H,1-8H2,(H,14,17)
InChIKeyKRBGPRPUFMPECG-UHFFFAOYSA-N
MW265.31 g/mol
LogP-0.65
Rot. Bonds1

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

2-(6-oxopiperidine-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82863483) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(6-oxopiperidine-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-(6-oxopiperidine-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82863483
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-(6-oxopiperidine-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C1CCC(C(=O)N2CCN3C(=O)CCC3C2)CN1
InChIInChI=1S/C13H19N3O3/c17-11-3-1-9(7-14-11)13(19)15-5-6-16-10(8-15)2-4-12(16)18/h9-10H,1-8H2,(H,14,17)
InChIKeyKRBGPRPUFMPECG-UHFFFAOYSA-N
XLogP-0.65
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxopiperidine-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-(6-oxopiperidine-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82863483) is 2-(6-oxopiperidine-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-(6-oxopiperidine-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-(6-oxopiperidine-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is O=C1CCC(C(=O)N2CCN3C(=O)CCC3C2)CN1.
What is the InChIKey of 2-(6-oxopiperidine-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is KRBGPRPUFMPECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-11-3-1-9(7-14-11)13(19)15-5-6-16-10(8-15)2-4-12(16)18/h9-10H,1-8H2,(H,14,17).
What are the key properties of 2-(6-oxopiperidine-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-(6-oxopiperidine-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 265.31 g/mol, XLogP of -0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxopiperidine-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82863483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).