1-(4-ethylpiperidin-1-yl)-2-pyrazin-2-ylethanone

C13H19N3O — CID 58348001

IUPAC1-(4-ethylpiperidin-1-yl)-2-pyrazin-2-ylethanone
SMILESCCC1CCN(C(=O)Cc2cnccn2)CC1
InChIInChI=1S/C13H19N3O/c1-2-11-3-7-16(8-4-11)13(17)9-12-10-14-5-6-15-12/h5-6,10-11H,2-4,7-9H2,1H3
InChIKeyNRFPUVHYTNDGKR-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.67
Rot. Bonds3

About 1-(4-ethylpiperidin-1-yl)-2-pyrazin-2-ylethanone

1-(4-ethylpiperidin-1-yl)-2-pyrazin-2-ylethanone (PubChem CID 58348001) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(4-ethylpiperidin-1-yl)-2-pyrazin-2-ylethanone.

Molecular Properties

Compound Name1-(4-ethylpiperidin-1-yl)-2-pyrazin-2-ylethanone
PubChem CID58348001
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(4-ethylpiperidin-1-yl)-2-pyrazin-2-ylethanone
SMILESCCC1CCN(C(=O)Cc2cnccn2)CC1
InChIInChI=1S/C13H19N3O/c1-2-11-3-7-16(8-4-11)13(17)9-12-10-14-5-6-15-12/h5-6,10-11H,2-4,7-9H2,1H3
InChIKeyNRFPUVHYTNDGKR-UHFFFAOYSA-N
XLogP1.67
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperidin-1-yl)-2-pyrazin-2-ylethanone?
The IUPAC name of 1-(4-ethylpiperidin-1-yl)-2-pyrazin-2-ylethanone (CID 58348001) is 1-(4-ethylpiperidin-1-yl)-2-pyrazin-2-ylethanone.
What is the SMILES notation for 1-(4-ethylpiperidin-1-yl)-2-pyrazin-2-ylethanone?
The canonical SMILES for 1-(4-ethylpiperidin-1-yl)-2-pyrazin-2-ylethanone is CCC1CCN(C(=O)Cc2cnccn2)CC1.
What is the InChIKey of 1-(4-ethylpiperidin-1-yl)-2-pyrazin-2-ylethanone?
The InChIKey is NRFPUVHYTNDGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-11-3-7-16(8-4-11)13(17)9-12-10-14-5-6-15-12/h5-6,10-11H,2-4,7-9H2,1H3.
What are the key properties of 1-(4-ethylpiperidin-1-yl)-2-pyrazin-2-ylethanone?
1-(4-ethylpiperidin-1-yl)-2-pyrazin-2-ylethanone has a molecular weight of 233.31 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperidin-1-yl)-2-pyrazin-2-ylethanone is sourced from PubChem (CID 58348001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).