4-amino-N'-(2-oxo-2-piperidin-1-ylethoxy)-1,2,5-oxadiazole-3-carboximidamide

C10H16N6O3 — CID 7657873

IUPAC4-amino-N'-(2-oxo-2-piperidin-1-ylethoxy)-1,2,5-oxadiazole-3-carboximidamide
SMILESN/C(=N\OCC(=O)N1CCCCC1)c1nonc1N
InChIInChI=1S/C10H16N6O3/c11-9(8-10(12)15-19-13-8)14-18-6-7(17)16-4-2-1-3-5-16/h1-6H2,(H2,11,14)(H2,12,15)
InChIKeyGDPMCWAXJYALJC-UHFFFAOYSA-N
MW268.28 g/mol
LogP-0.70
Rot. Bonds4

About 4-amino-N'-(2-oxo-2-piperidin-1-ylethoxy)-1,2,5-oxadiazole-3-carboximidamide

4-amino-N'-(2-oxo-2-piperidin-1-ylethoxy)-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 7657873) has the molecular formula C10H16N6O3 and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-amino-N'-(2-oxo-2-piperidin-1-ylethoxy)-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound Name4-amino-N'-(2-oxo-2-piperidin-1-ylethoxy)-1,2,5-oxadiazole-3-carboximidamide
PubChem CID7657873
Molecular FormulaC10H16N6O3
Molecular Weight268.28 g/mol
Exact Mass268.13
IUPAC Name4-amino-N'-(2-oxo-2-piperidin-1-ylethoxy)-1,2,5-oxadiazole-3-carboximidamide
SMILESN/C(=N\OCC(=O)N1CCCCC1)c1nonc1N
InChIInChI=1S/C10H16N6O3/c11-9(8-10(12)15-19-13-8)14-18-6-7(17)16-4-2-1-3-5-16/h1-6H2,(H2,11,14)(H2,12,15)
InChIKeyGDPMCWAXJYALJC-UHFFFAOYSA-N
XLogP-0.70
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxyacetamide
CID 5363180
4-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,5-oxadiazole-3-carboxamide
CID 62686900
(2-oxo-2-piperidin-1-ylethyl) carbamate
CID 175217966
4-amino-N'-[(4-chlorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide
CID 2848662
ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-(azepan-1-yl)-2-oxoethoxy]iminoacetate
CID 21269047
(2-oxo-2-piperidin-1-ylethyl) 3-aminopyrazine-2-carboxylate
CID 2687681
[2-(azepan-1-yl)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 2625779
[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] N-tert-butylcarbamate
CID 5372680
[4-[2-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]ethyl]piperazin-1-yl]-(4-amino-1,2,5-oxadiazol-3-yl)methanone
CID 11452890
4-[(E)-N-ethoxy-C-morpholin-4-ylcarbonimidoyl]-1,2,5-oxadiazol-3-amine
CID 5340009
[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] 3-phenylpropanoate
CID 3645854
(4-amino-1,2,5-oxadiazol-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 62687633

Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-(2-oxo-2-piperidin-1-ylethoxy)-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of 4-amino-N'-(2-oxo-2-piperidin-1-ylethoxy)-1,2,5-oxadiazole-3-carboximidamide (CID 7657873) is 4-amino-N'-(2-oxo-2-piperidin-1-ylethoxy)-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for 4-amino-N'-(2-oxo-2-piperidin-1-ylethoxy)-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for 4-amino-N'-(2-oxo-2-piperidin-1-ylethoxy)-1,2,5-oxadiazole-3-carboximidamide is N/C(=N\OCC(=O)N1CCCCC1)c1nonc1N.
What is the InChIKey of 4-amino-N'-(2-oxo-2-piperidin-1-ylethoxy)-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is GDPMCWAXJYALJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O3/c11-9(8-10(12)15-19-13-8)14-18-6-7(17)16-4-2-1-3-5-16/h1-6H2,(H2,11,14)(H2,12,15).
What are the key properties of 4-amino-N'-(2-oxo-2-piperidin-1-ylethoxy)-1,2,5-oxadiazole-3-carboximidamide?
4-amino-N'-(2-oxo-2-piperidin-1-ylethoxy)-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 268.28 g/mol, XLogP of -0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-(2-oxo-2-piperidin-1-ylethoxy)-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 7657873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).