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

C13H22N4O — CID 62927574

IUPAC1-ethyl-3-(2-piperidin-1-ylethylamino)pyrazin-2-one
SMILESCCn1ccnc(NCCN2CCCCC2)c1=O
InChIInChI=1S/C13H22N4O/c1-2-17-11-7-15-12(13(17)18)14-6-10-16-8-4-3-5-9-16/h7,11H,2-6,8-10H2,1H3,(H,14,15)
InChIKeyGVZSHNYXQUDCOF-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.16
Rot. Bonds5

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

1-ethyl-3-(2-piperidin-1-ylethylamino)pyrazin-2-one (PubChem CID 62927574) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-ethyl-3-(2-piperidin-1-ylethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(2-piperidin-1-ylethylamino)pyrazin-2-one
PubChem CID62927574
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-ethyl-3-(2-piperidin-1-ylethylamino)pyrazin-2-one
SMILESCCn1ccnc(NCCN2CCCCC2)c1=O
InChIInChI=1S/C13H22N4O/c1-2-17-11-7-15-12(13(17)18)14-6-10-16-8-4-3-5-9-16/h7,11H,2-6,8-10H2,1H3,(H,14,15)
InChIKeyGVZSHNYXQUDCOF-UHFFFAOYSA-N
XLogP1.16
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.16
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-1-ylethylamino)pyrazin-2-one?
The IUPAC name of 1-ethyl-3-(2-piperidin-1-ylethylamino)pyrazin-2-one (CID 62927574) is 1-ethyl-3-(2-piperidin-1-ylethylamino)pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-(2-piperidin-1-ylethylamino)pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-(2-piperidin-1-ylethylamino)pyrazin-2-one is CCn1ccnc(NCCN2CCCCC2)c1=O.
What is the InChIKey of 1-ethyl-3-(2-piperidin-1-ylethylamino)pyrazin-2-one?
The InChIKey is GVZSHNYXQUDCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-17-11-7-15-12(13(17)18)14-6-10-16-8-4-3-5-9-16/h7,11H,2-6,8-10H2,1H3,(H,14,15).
What are the key properties of 1-ethyl-3-(2-piperidin-1-ylethylamino)pyrazin-2-one?
1-ethyl-3-(2-piperidin-1-ylethylamino)pyrazin-2-one has a molecular weight of 250.35 g/mol, XLogP of 1.16, 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-1-ylethylamino)pyrazin-2-one is sourced from PubChem (CID 62927574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).