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

C12H17N3O2 — CID 63845997

IUPAC3-(3-acetylpiperidin-1-yl)-1-methylpyrazin-2-one
SMILESCC(=O)C1CCCN(c2nccn(C)c2=O)C1
InChIInChI=1S/C12H17N3O2/c1-9(16)10-4-3-6-15(8-10)11-12(17)14(2)7-5-13-11/h5,7,10H,3-4,6,8H2,1-2H3
InChIKeySZZLPPJWCBVYCP-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.59
Rot. Bonds2

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

3-(3-acetylpiperidin-1-yl)-1-methylpyrazin-2-one (PubChem CID 63845997) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-(3-acetylpiperidin-1-yl)-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-(3-acetylpiperidin-1-yl)-1-methylpyrazin-2-one
PubChem CID63845997
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-(3-acetylpiperidin-1-yl)-1-methylpyrazin-2-one
SMILESCC(=O)C1CCCN(c2nccn(C)c2=O)C1
InChIInChI=1S/C12H17N3O2/c1-9(16)10-4-3-6-15(8-10)11-12(17)14(2)7-5-13-11/h5,7,10H,3-4,6,8H2,1-2H3
InChIKeySZZLPPJWCBVYCP-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-(3-acetylpiperidin-1-yl)-1-methylpyrazin-2-one?
The IUPAC name of 3-(3-acetylpiperidin-1-yl)-1-methylpyrazin-2-one (CID 63845997) is 3-(3-acetylpiperidin-1-yl)-1-methylpyrazin-2-one.
What is the SMILES notation for 3-(3-acetylpiperidin-1-yl)-1-methylpyrazin-2-one?
The canonical SMILES for 3-(3-acetylpiperidin-1-yl)-1-methylpyrazin-2-one is CC(=O)C1CCCN(c2nccn(C)c2=O)C1.
What is the InChIKey of 3-(3-acetylpiperidin-1-yl)-1-methylpyrazin-2-one?
The InChIKey is SZZLPPJWCBVYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9(16)10-4-3-6-15(8-10)11-12(17)14(2)7-5-13-11/h5,7,10H,3-4,6,8H2,1-2H3.
What are the key properties of 3-(3-acetylpiperidin-1-yl)-1-methylpyrazin-2-one?
3-(3-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-(3-acetylpiperidin-1-yl)-1-methylpyrazin-2-one is sourced from PubChem (CID 63845997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).