[1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] acetate

C16H24N4O3 — CID 139785157

IUPAC[1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] acetate
SMILESCC(=O)OC(CO/N=C(\N)c1cccnc1)CN1CCCCC1
InChIInChI=1S/C16H24N4O3/c1-13(21)23-15(11-20-8-3-2-4-9-20)12-22-19-16(17)14-6-5-7-18-10-14/h5-7,10,15H,2-4,8-9,11-12H2,1H3,(H2,17,19)
InChIKeySOPZCLAMDWNENY-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.14
Rot. Bonds7

About [1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] acetate

[1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] acetate (PubChem CID 139785157) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is [1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] acetate.

Molecular Properties

Compound Name[1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] acetate
PubChem CID139785157
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name[1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] acetate
SMILESCC(=O)OC(CO/N=C(\N)c1cccnc1)CN1CCCCC1
InChIInChI=1S/C16H24N4O3/c1-13(21)23-15(11-20-8-3-2-4-9-20)12-22-19-16(17)14-6-5-7-18-10-14/h5-7,10,15H,2-4,8-9,11-12H2,1H3,(H2,17,19)
InChIKeySOPZCLAMDWNENY-UHFFFAOYSA-N
XLogP1.14
TPSA90.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

[1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] furan-2-carboxylate
CID 87474140
N'-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidamide
CID 76956160
N'-(2-chloro-3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide
CID 57148724
[1-[(Z)-[chloro(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] benzoate
CID 87475056
N'-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide;dihydrochloride
CID 87475486
[1-(N-hydroxy-C-phenylcarbonimidoyl)oxy-3-piperidin-1-ylpropan-2-yl] acetate;hydrochloride
CID 173351826
but-2-enedioic acid;(3Z)-N-(2-hydroxy-3-piperidin-1-ylpropoxy)pyridine-3-carboximidoyl chloride
CID 87925320
N'-(3-cyclohexyl-2-hydroxypropoxy)pyridine-3-carboximidamide
CID 76582869
N'-methoxypyridine-3-carboximidamide
CID 82467799
methyl 3-piperidin-1-yl-2-pyridin-3-ylpropanoate
CID 117241306
1,3-di(piperidin-1-yl)propan-2-yl benzoate dichloride
CID 45108743
1-hydroxy-N'-(2-hydroxy-3-piperidin-1-ylpropoxy)pyridin-1-ium-3-carboximidamide
CID 164938287

Frequently Asked Questions

What is the IUPAC name of [1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] acetate?
The IUPAC name of [1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] acetate (CID 139785157) is [1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] acetate.
What is the SMILES notation for [1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] acetate?
The canonical SMILES for [1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] acetate is CC(=O)OC(CO/N=C(\N)c1cccnc1)CN1CCCCC1.
What is the InChIKey of [1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] acetate?
The InChIKey is SOPZCLAMDWNENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-13(21)23-15(11-20-8-3-2-4-9-20)12-22-19-16(17)14-6-5-7-18-10-14/h5-7,10,15H,2-4,8-9,11-12H2,1H3,(H2,17,19).
What are the key properties of [1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] acetate?
[1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] acetate has a molecular weight of 320.39 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] acetate is sourced from PubChem (CID 139785157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).