3-(4-acetylpiperidin-1-yl)-1-methylpyrazin-2-one

C12H17N3O2 — CID 55258343

IUPAC3-(4-acetylpiperidin-1-yl)-1-methylpyrazin-2-one
SMILESCC(=O)C1CCN(c2nccn(C)c2=O)CC1
InChIInChI=1S/C12H17N3O2/c1-9(16)10-3-6-15(7-4-10)11-12(17)14(2)8-5-13-11/h5,8,10H,3-4,6-7H2,1-2H3
InChIKeyFZGWLQPFNYDQFI-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.59
Rot. Bonds2

About 3-(4-acetylpiperidin-1-yl)-1-methylpyrazin-2-one

3-(4-acetylpiperidin-1-yl)-1-methylpyrazin-2-one (PubChem CID 55258343) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-(4-acetylpiperidin-1-yl)-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-(4-acetylpiperidin-1-yl)-1-methylpyrazin-2-one
PubChem CID55258343
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-(4-acetylpiperidin-1-yl)-1-methylpyrazin-2-one
SMILESCC(=O)C1CCN(c2nccn(C)c2=O)CC1
InChIInChI=1S/C12H17N3O2/c1-9(16)10-3-6-15(7-4-10)11-12(17)14(2)8-5-13-11/h5,8,10H,3-4,6-7H2,1-2H3
InChIKeyFZGWLQPFNYDQFI-UHFFFAOYSA-N
XLogP0.59
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperidin-1-yl)-1-methylpyrazin-2-one?
The IUPAC name of 3-(4-acetylpiperidin-1-yl)-1-methylpyrazin-2-one (CID 55258343) is 3-(4-acetylpiperidin-1-yl)-1-methylpyrazin-2-one.
What is the SMILES notation for 3-(4-acetylpiperidin-1-yl)-1-methylpyrazin-2-one?
The canonical SMILES for 3-(4-acetylpiperidin-1-yl)-1-methylpyrazin-2-one is CC(=O)C1CCN(c2nccn(C)c2=O)CC1.
What is the InChIKey of 3-(4-acetylpiperidin-1-yl)-1-methylpyrazin-2-one?
The InChIKey is FZGWLQPFNYDQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9(16)10-3-6-15(7-4-10)11-12(17)14(2)8-5-13-11/h5,8,10H,3-4,6-7H2,1-2H3.
What are the key properties of 3-(4-acetylpiperidin-1-yl)-1-methylpyrazin-2-one?
3-(4-acetylpiperidin-1-yl)-1-methylpyrazin-2-one has a molecular weight of 235.29 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperidin-1-yl)-1-methylpyrazin-2-one is sourced from PubChem (CID 55258343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).