3-(3-acetylpiperidin-1-yl)-1-cyclopropylpyrazin-2-one

C14H19N3O2 — CID 63845994

IUPAC3-(3-acetylpiperidin-1-yl)-1-cyclopropylpyrazin-2-one
SMILESCC(=O)C1CCCN(c2nccn(C3CC3)c2=O)C1
InChIInChI=1S/C14H19N3O2/c1-10(18)11-3-2-7-16(9-11)13-14(19)17(8-6-15-13)12-4-5-12/h6,8,11-12H,2-5,7,9H2,1H3
InChIKeyBEUDFEWVQAZNNI-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.38
Rot. Bonds3

About 3-(3-acetylpiperidin-1-yl)-1-cyclopropylpyrazin-2-one

3-(3-acetylpiperidin-1-yl)-1-cyclopropylpyrazin-2-one (PubChem CID 63845994) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(3-acetylpiperidin-1-yl)-1-cyclopropylpyrazin-2-one.

Molecular Properties

Compound Name3-(3-acetylpiperidin-1-yl)-1-cyclopropylpyrazin-2-one
PubChem CID63845994
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-(3-acetylpiperidin-1-yl)-1-cyclopropylpyrazin-2-one
SMILESCC(=O)C1CCCN(c2nccn(C3CC3)c2=O)C1
InChIInChI=1S/C14H19N3O2/c1-10(18)11-3-2-7-16(9-11)13-14(19)17(8-6-15-13)12-4-5-12/h6,8,11-12H,2-5,7,9H2,1H3
InChIKeyBEUDFEWVQAZNNI-UHFFFAOYSA-N
XLogP1.38
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.38
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-cyclopropylpyrazin-2-one?
The IUPAC name of 3-(3-acetylpiperidin-1-yl)-1-cyclopropylpyrazin-2-one (CID 63845994) is 3-(3-acetylpiperidin-1-yl)-1-cyclopropylpyrazin-2-one.
What is the SMILES notation for 3-(3-acetylpiperidin-1-yl)-1-cyclopropylpyrazin-2-one?
The canonical SMILES for 3-(3-acetylpiperidin-1-yl)-1-cyclopropylpyrazin-2-one is CC(=O)C1CCCN(c2nccn(C3CC3)c2=O)C1.
What is the InChIKey of 3-(3-acetylpiperidin-1-yl)-1-cyclopropylpyrazin-2-one?
The InChIKey is BEUDFEWVQAZNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(18)11-3-2-7-16(9-11)13-14(19)17(8-6-15-13)12-4-5-12/h6,8,11-12H,2-5,7,9H2,1H3.
What are the key properties of 3-(3-acetylpiperidin-1-yl)-1-cyclopropylpyrazin-2-one?
3-(3-acetylpiperidin-1-yl)-1-cyclopropylpyrazin-2-one has a molecular weight of 261.32 g/mol, XLogP of 1.38, 3 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-cyclopropylpyrazin-2-one is sourced from PubChem (CID 63845994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).