3-(4-oxopiperidin-1-yl)-1-propylpyrazin-2-one

C12H17N3O2 — CID 62940324

IUPAC3-(4-oxopiperidin-1-yl)-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N2CCC(=O)CC2)c1=O
InChIInChI=1S/C12H17N3O2/c1-2-6-15-9-5-13-11(12(15)17)14-7-3-10(16)4-8-14/h5,9H,2-4,6-8H2,1H3
InChIKeyGTFPFJLULOLSLW-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.82
Rot. Bonds3

About 3-(4-oxopiperidin-1-yl)-1-propylpyrazin-2-one

3-(4-oxopiperidin-1-yl)-1-propylpyrazin-2-one (PubChem CID 62940324) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-(4-oxopiperidin-1-yl)-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-(4-oxopiperidin-1-yl)-1-propylpyrazin-2-one
PubChem CID62940324
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-(4-oxopiperidin-1-yl)-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N2CCC(=O)CC2)c1=O
InChIInChI=1S/C12H17N3O2/c1-2-6-15-9-5-13-11(12(15)17)14-7-3-10(16)4-8-14/h5,9H,2-4,6-8H2,1H3
InChIKeyGTFPFJLULOLSLW-UHFFFAOYSA-N
XLogP0.82
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-oxopiperidin-1-yl)-1-propylpyrazin-2-one?
The IUPAC name of 3-(4-oxopiperidin-1-yl)-1-propylpyrazin-2-one (CID 62940324) is 3-(4-oxopiperidin-1-yl)-1-propylpyrazin-2-one.
What is the SMILES notation for 3-(4-oxopiperidin-1-yl)-1-propylpyrazin-2-one?
The canonical SMILES for 3-(4-oxopiperidin-1-yl)-1-propylpyrazin-2-one is CCCn1ccnc(N2CCC(=O)CC2)c1=O.
What is the InChIKey of 3-(4-oxopiperidin-1-yl)-1-propylpyrazin-2-one?
The InChIKey is GTFPFJLULOLSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-2-6-15-9-5-13-11(12(15)17)14-7-3-10(16)4-8-14/h5,9H,2-4,6-8H2,1H3.
What are the key properties of 3-(4-oxopiperidin-1-yl)-1-propylpyrazin-2-one?
3-(4-oxopiperidin-1-yl)-1-propylpyrazin-2-one has a molecular weight of 235.29 g/mol, XLogP of 0.82, 3 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-propylpyrazin-2-one is sourced from PubChem (CID 62940324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).