(4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-piperidin-1-ylmethanone

C8H12N4O3 — CID 841662

IUPAC(4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-piperidin-1-ylmethanone
SMILESNc1no[n+]([O-])c1C(=O)N1CCCCC1
InChIInChI=1S/C8H12N4O3/c9-7-6(12(14)15-10-7)8(13)11-4-2-1-3-5-11/h1-5H2,(H2,9,10)
InChIKeyUACJGTZOVFVRCY-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.48
Rot. Bonds1

About (4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-piperidin-1-ylmethanone

(4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-piperidin-1-ylmethanone (PubChem CID 841662) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is (4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-piperidin-1-ylmethanone
PubChem CID841662
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name(4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-piperidin-1-ylmethanone
SMILESNc1no[n+]([O-])c1C(=O)N1CCCCC1
InChIInChI=1S/C8H12N4O3/c9-7-6(12(14)15-10-7)8(13)11-4-2-1-3-5-11/h1-5H2,(H2,9,10)
InChIKeyUACJGTZOVFVRCY-UHFFFAOYSA-N
XLogP-0.48
TPSA99.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}

Analyze (4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-piperidin-1-ylmethanone 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 (4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-piperidin-1-ylmethanone?
The IUPAC name of (4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-piperidin-1-ylmethanone (CID 841662) is (4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-piperidin-1-ylmethanone is Nc1no[n+]([O-])c1C(=O)N1CCCCC1.
What is the InChIKey of (4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-piperidin-1-ylmethanone?
The InChIKey is UACJGTZOVFVRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c9-7-6(12(14)15-10-7)8(13)11-4-2-1-3-5-11/h1-5H2,(H2,9,10).
What are the key properties of (4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-piperidin-1-ylmethanone?
(4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-piperidin-1-ylmethanone has a molecular weight of 212.21 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 841662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).