3-(4-oxopiperidin-1-yl)-1-propan-2-ylpyrazin-2-one

C12H17N3O2 — CID 62940145

IUPAC3-(4-oxopiperidin-1-yl)-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(N2CCC(=O)CC2)c1=O
InChIInChI=1S/C12H17N3O2/c1-9(2)15-8-5-13-11(12(15)17)14-6-3-10(16)4-7-14/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeySYKWGRXXVLNDBW-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.99
Rot. Bonds2

About 3-(4-oxopiperidin-1-yl)-1-propan-2-ylpyrazin-2-one

3-(4-oxopiperidin-1-yl)-1-propan-2-ylpyrazin-2-one (PubChem CID 62940145) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-(4-oxopiperidin-1-yl)-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-(4-oxopiperidin-1-yl)-1-propan-2-ylpyrazin-2-one
PubChem CID62940145
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-(4-oxopiperidin-1-yl)-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(N2CCC(=O)CC2)c1=O
InChIInChI=1S/C12H17N3O2/c1-9(2)15-8-5-13-11(12(15)17)14-6-3-10(16)4-7-14/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeySYKWGRXXVLNDBW-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
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
1-(2-Methylpropyl)-3-(piperidin-1-YL)-1,2-dihydropyrazin-2-one
CID 53015075
3-(Piperidin-1-YL)-1-propyl-1,2-dihydropyrazin-2-one
CID 53015079
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-(4-Acetylpiperidin-1-yl)-1-methylpyrazin-2-one
CID 55258343
3-(2-Acetylpiperidin-1-yl)-1-propylpyrazin-2-one
CID 55258920
3-(3-Aminopiperidin-1-yl)-1-propan-2-ylpyrazin-2-one
CID 62928138
3-(3-aminopiperidin-1-yl)-1-ethylpyrazin-2(1H)-one
CID 62928139
3-(3-Aminopiperidin-1-yl)-1-propylpyrazin-2-one
CID 62928140
1-Methyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one
CID 62938504
1-Ethyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one
CID 62940146

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxopiperidin-1-yl)-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-(4-oxopiperidin-1-yl)-1-propan-2-ylpyrazin-2-one (CID 62940145) is 3-(4-oxopiperidin-1-yl)-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-(4-oxopiperidin-1-yl)-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-(4-oxopiperidin-1-yl)-1-propan-2-ylpyrazin-2-one is CC(C)n1ccnc(N2CCC(=O)CC2)c1=O.
What is the InChIKey of 3-(4-oxopiperidin-1-yl)-1-propan-2-ylpyrazin-2-one?
The InChIKey is SYKWGRXXVLNDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9(2)15-8-5-13-11(12(15)17)14-6-3-10(16)4-7-14/h5,8-9H,3-4,6-7H2,1-2H3.
What are the key properties of 3-(4-oxopiperidin-1-yl)-1-propan-2-ylpyrazin-2-one?
3-(4-oxopiperidin-1-yl)-1-propan-2-ylpyrazin-2-one has a molecular weight of 235.29 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxopiperidin-1-yl)-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 62940145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).