1-tert-butyl-3-(piperidin-3-ylamino)pyrazin-2-one

C13H22N4O — CID 63321025

IUPAC1-tert-butyl-3-(piperidin-3-ylamino)pyrazin-2-one
SMILESCC(C)(C)n1ccnc(NC2CCCNC2)c1=O
InChIInChI=1S/C13H22N4O/c1-13(2,3)17-8-7-15-11(12(17)18)16-10-5-4-6-14-9-10/h7-8,10,14H,4-6,9H2,1-3H3,(H,15,16)
InChIKeyBAOXUXCLGYSJTK-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.16
Rot. Bonds2

About 1-tert-butyl-3-(piperidin-3-ylamino)pyrazin-2-one

1-tert-butyl-3-(piperidin-3-ylamino)pyrazin-2-one (PubChem CID 63321025) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-tert-butyl-3-(piperidin-3-ylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-(piperidin-3-ylamino)pyrazin-2-one
PubChem CID63321025
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-tert-butyl-3-(piperidin-3-ylamino)pyrazin-2-one
SMILESCC(C)(C)n1ccnc(NC2CCCNC2)c1=O
InChIInChI=1S/C13H22N4O/c1-13(2,3)17-8-7-15-11(12(17)18)16-10-5-4-6-14-9-10/h7-8,10,14H,4-6,9H2,1-3H3,(H,15,16)
InChIKeyBAOXUXCLGYSJTK-UHFFFAOYSA-N
XLogP1.16
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-tert-butyl-3-(piperidin-3-ylamino)pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(piperidin-3-ylamino)pyrazin-2-one?
The IUPAC name of 1-tert-butyl-3-(piperidin-3-ylamino)pyrazin-2-one (CID 63321025) is 1-tert-butyl-3-(piperidin-3-ylamino)pyrazin-2-one.
What is the SMILES notation for 1-tert-butyl-3-(piperidin-3-ylamino)pyrazin-2-one?
The canonical SMILES for 1-tert-butyl-3-(piperidin-3-ylamino)pyrazin-2-one is CC(C)(C)n1ccnc(NC2CCCNC2)c1=O.
What is the InChIKey of 1-tert-butyl-3-(piperidin-3-ylamino)pyrazin-2-one?
The InChIKey is BAOXUXCLGYSJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-13(2,3)17-8-7-15-11(12(17)18)16-10-5-4-6-14-9-10/h7-8,10,14H,4-6,9H2,1-3H3,(H,15,16).
What are the key properties of 1-tert-butyl-3-(piperidin-3-ylamino)pyrazin-2-one?
1-tert-butyl-3-(piperidin-3-ylamino)pyrazin-2-one has a molecular weight of 250.35 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(piperidin-3-ylamino)pyrazin-2-one is sourced from PubChem (CID 63321025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).