1-(2-methylpropyl)-3-(4-oxopiperidin-1-yl)pyrazin-2-one

C13H19N3O2 — CID 62940325

IUPAC1-(2-methylpropyl)-3-(4-oxopiperidin-1-yl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(N2CCC(=O)CC2)c1=O
InChIInChI=1S/C13H19N3O2/c1-10(2)9-16-8-5-14-12(13(16)18)15-6-3-11(17)4-7-15/h5,8,10H,3-4,6-7,9H2,1-2H3
InChIKeyYBSMAZUQEPZOFW-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.07
Rot. Bonds3

About 1-(2-methylpropyl)-3-(4-oxopiperidin-1-yl)pyrazin-2-one

1-(2-methylpropyl)-3-(4-oxopiperidin-1-yl)pyrazin-2-one (PubChem CID 62940325) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-(4-oxopiperidin-1-yl)pyrazin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-(4-oxopiperidin-1-yl)pyrazin-2-one
PubChem CID62940325
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-(2-methylpropyl)-3-(4-oxopiperidin-1-yl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(N2CCC(=O)CC2)c1=O
InChIInChI=1S/C13H19N3O2/c1-10(2)9-16-8-5-14-12(13(16)18)15-6-3-11(17)4-7-15/h5,8,10H,3-4,6-7,9H2,1-2H3
InChIKeyYBSMAZUQEPZOFW-UHFFFAOYSA-N
XLogP1.07
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Ethyl-3-(piperidin-1-YL)-1,2-dihydropyrazin-2-one
CID 53015072
3-[4-(Fluoromethyl)piperidin-1-yl]-1-methyl-1,2-dihydropyrazin-2-one
CID 166604872
1-(2-Methylpropyl)-3-(piperidin-1-YL)-1,2-dihydropyrazin-2-one
CID 53015075
3-(4-Methylpiperidin-1-YL)-1-propyl-1,2-dihydropyrazin-2-one
CID 53015077
3-(Piperidin-1-YL)-1-propyl-1,2-dihydropyrazin-2-one
CID 53015079
3-(4-Methylpiperazin-1-YL)-1-(2-methylpropyl)-1,2-dihydropyrazin-2-one
CID 53015087
3-Piperidin-1-yl-1-propan-2-ylpyrazin-2-one
CID 53015071
1-Cyclopropyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one
CID 55157175
3-(3-Acetylpiperidin-1-yl)-1-ethylpyrazin-2-one
CID 55257188
3-(4-Acetylpiperidin-1-yl)-1-methylpyrazin-2-one
CID 55258343
3-(2-Acetylpiperidin-1-yl)-1-propylpyrazin-2-one
CID 55258920
1-Methyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one
CID 62938504

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-(4-oxopiperidin-1-yl)pyrazin-2-one?
The IUPAC name of 1-(2-methylpropyl)-3-(4-oxopiperidin-1-yl)pyrazin-2-one (CID 62940325) is 1-(2-methylpropyl)-3-(4-oxopiperidin-1-yl)pyrazin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-3-(4-oxopiperidin-1-yl)pyrazin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-3-(4-oxopiperidin-1-yl)pyrazin-2-one is CC(C)Cn1ccnc(N2CCC(=O)CC2)c1=O.
What is the InChIKey of 1-(2-methylpropyl)-3-(4-oxopiperidin-1-yl)pyrazin-2-one?
The InChIKey is YBSMAZUQEPZOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10(2)9-16-8-5-14-12(13(16)18)15-6-3-11(17)4-7-15/h5,8,10H,3-4,6-7,9H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-3-(4-oxopiperidin-1-yl)pyrazin-2-one?
1-(2-methylpropyl)-3-(4-oxopiperidin-1-yl)pyrazin-2-one has a molecular weight of 249.31 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-(4-oxopiperidin-1-yl)pyrazin-2-one is sourced from PubChem (CID 62940325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).