3-(2-acetylpiperidin-1-yl)-1-tert-butylpyrazin-2-one

C15H23N3O2 — CID 63844996

IUPAC3-(2-acetylpiperidin-1-yl)-1-tert-butylpyrazin-2-one
SMILESCC(=O)C1CCCCN1c1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C15H23N3O2/c1-11(19)12-7-5-6-9-17(12)13-14(20)18(10-8-16-13)15(2,3)4/h8,10,12H,5-7,9H2,1-4H3
InChIKeyAEYIIQSMNQTIHP-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.95
Rot. Bonds2

About 3-(2-acetylpiperidin-1-yl)-1-tert-butylpyrazin-2-one

3-(2-acetylpiperidin-1-yl)-1-tert-butylpyrazin-2-one (PubChem CID 63844996) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(2-acetylpiperidin-1-yl)-1-tert-butylpyrazin-2-one.

Molecular Properties

Compound Name3-(2-acetylpiperidin-1-yl)-1-tert-butylpyrazin-2-one
PubChem CID63844996
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-(2-acetylpiperidin-1-yl)-1-tert-butylpyrazin-2-one
SMILESCC(=O)C1CCCCN1c1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C15H23N3O2/c1-11(19)12-7-5-6-9-17(12)13-14(20)18(10-8-16-13)15(2,3)4/h8,10,12H,5-7,9H2,1-4H3
InChIKeyAEYIIQSMNQTIHP-UHFFFAOYSA-N
XLogP1.95
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Ethyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde
CID 55155091
3-(3-Acetylpiperidin-1-yl)-1-ethylpyrazin-2-one
CID 55257188
3-(2-Acetylpiperidin-1-yl)-1-propylpyrazin-2-one
CID 55258920
1-(3-Oxo-4-propylpyrazin-2-yl)piperidine-2-carbaldehyde
CID 62929425
1-(3-Oxo-4-propan-2-ylpyrazin-2-yl)piperidine-2-carbaldehyde
CID 62929426
1-[4-(2-Methylpropyl)-3-oxopyrazin-2-yl]piperidine-2-carbaldehyde
CID 62929602
1-(4-Tert-butyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde
CID 62929774
3-(4-Oxopiperidin-1-yl)-1-propan-2-ylpyrazin-2-one
CID 62940145
3-(4-Oxopiperidin-1-yl)-1-propylpyrazin-2-one
CID 62940324
1-(2-Methylpropyl)-3-(4-oxopiperidin-1-yl)pyrazin-2-one
CID 62940325
1-Tert-butyl-3-(4-oxopiperidin-1-yl)pyrazin-2-one
CID 62940326
1-(4-Methyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde
CID 62940993

Frequently Asked Questions

What is the IUPAC name of 3-(2-acetylpiperidin-1-yl)-1-tert-butylpyrazin-2-one?
The IUPAC name of 3-(2-acetylpiperidin-1-yl)-1-tert-butylpyrazin-2-one (CID 63844996) is 3-(2-acetylpiperidin-1-yl)-1-tert-butylpyrazin-2-one.
What is the SMILES notation for 3-(2-acetylpiperidin-1-yl)-1-tert-butylpyrazin-2-one?
The canonical SMILES for 3-(2-acetylpiperidin-1-yl)-1-tert-butylpyrazin-2-one is CC(=O)C1CCCCN1c1nccn(C(C)(C)C)c1=O.
What is the InChIKey of 3-(2-acetylpiperidin-1-yl)-1-tert-butylpyrazin-2-one?
The InChIKey is AEYIIQSMNQTIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(19)12-7-5-6-9-17(12)13-14(20)18(10-8-16-13)15(2,3)4/h8,10,12H,5-7,9H2,1-4H3.
What are the key properties of 3-(2-acetylpiperidin-1-yl)-1-tert-butylpyrazin-2-one?
3-(2-acetylpiperidin-1-yl)-1-tert-butylpyrazin-2-one has a molecular weight of 277.37 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-acetylpiperidin-1-yl)-1-tert-butylpyrazin-2-one is sourced from PubChem (CID 63844996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).