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

C15H23N3O2 — CID 63844436

IUPAC3-(3-acetylpiperidin-1-yl)-1-tert-butylpyrazin-2-one
SMILESCC(=O)C1CCCN(c2nccn(C(C)(C)C)c2=O)C1
InChIInChI=1S/C15H23N3O2/c1-11(19)12-6-5-8-17(10-12)13-14(20)18(9-7-16-13)15(2,3)4/h7,9,12H,5-6,8,10H2,1-4H3
InChIKeyUFIHHVHKUOJKFG-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.80
Rot. Bonds2

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

3-(3-acetylpiperidin-1-yl)-1-tert-butylpyrazin-2-one (PubChem CID 63844436) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(3-acetylpiperidin-1-yl)-1-tert-butylpyrazin-2-one.

Molecular Properties

Compound Name3-(3-acetylpiperidin-1-yl)-1-tert-butylpyrazin-2-one
PubChem CID63844436
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-(3-acetylpiperidin-1-yl)-1-tert-butylpyrazin-2-one
SMILESCC(=O)C1CCCN(c2nccn(C(C)(C)C)c2=O)C1
InChIInChI=1S/C15H23N3O2/c1-11(19)12-6-5-8-17(10-12)13-14(20)18(9-7-16-13)15(2,3)4/h7,9,12H,5-6,8,10H2,1-4H3
InChIKeyUFIHHVHKUOJKFG-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
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-tert-butylpyrazin-2-one?
The IUPAC name of 3-(3-acetylpiperidin-1-yl)-1-tert-butylpyrazin-2-one (CID 63844436) is 3-(3-acetylpiperidin-1-yl)-1-tert-butylpyrazin-2-one.
What is the SMILES notation for 3-(3-acetylpiperidin-1-yl)-1-tert-butylpyrazin-2-one?
The canonical SMILES for 3-(3-acetylpiperidin-1-yl)-1-tert-butylpyrazin-2-one is CC(=O)C1CCCN(c2nccn(C(C)(C)C)c2=O)C1.
What is the InChIKey of 3-(3-acetylpiperidin-1-yl)-1-tert-butylpyrazin-2-one?
The InChIKey is UFIHHVHKUOJKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(19)12-6-5-8-17(10-12)13-14(20)18(9-7-16-13)15(2,3)4/h7,9,12H,5-6,8,10H2,1-4H3.
What are the key properties of 3-(3-acetylpiperidin-1-yl)-1-tert-butylpyrazin-2-one?
3-(3-acetylpiperidin-1-yl)-1-tert-butylpyrazin-2-one has a molecular weight of 277.37 g/mol, XLogP of 1.80, 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-tert-butylpyrazin-2-one is sourced from PubChem (CID 63844436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).