3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-3-oxopropanimidamide

C10H19N3O3 — CID 61217570

IUPAC3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-3-oxopropanimidamide
SMILESCCOC1CCN(C(=O)CC(N)=NO)CC1
InChIInChI=1S/C10H19N3O3/c1-2-16-8-3-5-13(6-4-8)10(14)7-9(11)12-15/h8,15H,2-7H2,1H3,(H2,11,12)
InChIKeyMLOQGIWXCVJMAG-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.15
Rot. Bonds4

About 3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-3-oxopropanimidamide

3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-3-oxopropanimidamide (PubChem CID 61217570) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-3-oxopropanimidamide.

Molecular Properties

Compound Name3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-3-oxopropanimidamide
PubChem CID61217570
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-3-oxopropanimidamide
SMILESCCOC1CCN(C(=O)CC(N)=NO)CC1
InChIInChI=1S/C10H19N3O3/c1-2-16-8-3-5-13(6-4-8)10(14)7-9(11)12-15/h8,15H,2-7H2,1H3,(H2,11,12)
InChIKeyMLOQGIWXCVJMAG-UHFFFAOYSA-N
XLogP0.15
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-3-oxopropanimidamide?
The IUPAC name of 3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-3-oxopropanimidamide (CID 61217570) is 3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-3-oxopropanimidamide.
What is the SMILES notation for 3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-3-oxopropanimidamide?
The canonical SMILES for 3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-3-oxopropanimidamide is CCOC1CCN(C(=O)CC(N)=NO)CC1.
What is the InChIKey of 3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-3-oxopropanimidamide?
The InChIKey is MLOQGIWXCVJMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-2-16-8-3-5-13(6-4-8)10(14)7-9(11)12-15/h8,15H,2-7H2,1H3,(H2,11,12).
What are the key properties of 3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-3-oxopropanimidamide?
3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-3-oxopropanimidamide has a molecular weight of 229.28 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-3-oxopropanimidamide is sourced from PubChem (CID 61217570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).