1-ethyl-3-(2-piperidin-3-ylethoxy)pyrazin-2-one

C13H21N3O2 — CID 55156625

IUPAC1-ethyl-3-(2-piperidin-3-ylethoxy)pyrazin-2-one
SMILESCCn1ccnc(OCCC2CCCNC2)c1=O
InChIInChI=1S/C13H21N3O2/c1-2-16-8-7-15-12(13(16)17)18-9-5-11-4-3-6-14-10-11/h7-8,11,14H,2-6,9-10H2,1H3
InChIKeyCTFHGWVVICKGSG-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.03
Rot. Bonds5

About 1-ethyl-3-(2-piperidin-3-ylethoxy)pyrazin-2-one

1-ethyl-3-(2-piperidin-3-ylethoxy)pyrazin-2-one (PubChem CID 55156625) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-ethyl-3-(2-piperidin-3-ylethoxy)pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(2-piperidin-3-ylethoxy)pyrazin-2-one
PubChem CID55156625
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-ethyl-3-(2-piperidin-3-ylethoxy)pyrazin-2-one
SMILESCCn1ccnc(OCCC2CCCNC2)c1=O
InChIInChI=1S/C13H21N3O2/c1-2-16-8-7-15-12(13(16)17)18-9-5-11-4-3-6-14-10-11/h7-8,11,14H,2-6,9-10H2,1H3
InChIKeyCTFHGWVVICKGSG-UHFFFAOYSA-N
XLogP1.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-piperidin-3-ylethoxy)pyrazin-2-one?
The IUPAC name of 1-ethyl-3-(2-piperidin-3-ylethoxy)pyrazin-2-one (CID 55156625) is 1-ethyl-3-(2-piperidin-3-ylethoxy)pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-(2-piperidin-3-ylethoxy)pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-(2-piperidin-3-ylethoxy)pyrazin-2-one is CCn1ccnc(OCCC2CCCNC2)c1=O.
What is the InChIKey of 1-ethyl-3-(2-piperidin-3-ylethoxy)pyrazin-2-one?
The InChIKey is CTFHGWVVICKGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-16-8-7-15-12(13(16)17)18-9-5-11-4-3-6-14-10-11/h7-8,11,14H,2-6,9-10H2,1H3.
What are the key properties of 1-ethyl-3-(2-piperidin-3-ylethoxy)pyrazin-2-one?
1-ethyl-3-(2-piperidin-3-ylethoxy)pyrazin-2-one has a molecular weight of 251.33 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-piperidin-3-ylethoxy)pyrazin-2-one is sourced from PubChem (CID 55156625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).