2-(4-hydroxyiminopiperidin-1-yl)-N-methylacetamide

C8H15N3O2 — CID 24691032

IUPAC2-(4-hydroxyiminopiperidin-1-yl)-N-methylacetamide
SMILESCNC(=O)CN1CCC(=NO)CC1
InChIInChI=1S/C8H15N3O2/c1-9-8(12)6-11-4-2-7(10-13)3-5-11/h13H,2-6H2,1H3,(H,9,12)
InChIKeyTUVGTXKCZHCYQK-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.34
Rot. Bonds2

About 2-(4-hydroxyiminopiperidin-1-yl)-N-methylacetamide

2-(4-hydroxyiminopiperidin-1-yl)-N-methylacetamide (PubChem CID 24691032) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-(4-hydroxyiminopiperidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-hydroxyiminopiperidin-1-yl)-N-methylacetamide
PubChem CID24691032
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name2-(4-hydroxyiminopiperidin-1-yl)-N-methylacetamide
SMILESCNC(=O)CN1CCC(=NO)CC1
InChIInChI=1S/C8H15N3O2/c1-9-8(12)6-11-4-2-7(10-13)3-5-11/h13H,2-6H2,1H3,(H,9,12)
InChIKeyTUVGTXKCZHCYQK-UHFFFAOYSA-N
XLogP-0.34
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-hydroxyiminopiperidin-1-yl)-N-methylacetamide 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 2-(4-hydroxyiminopiperidin-1-yl)-N-methylacetamide?
The IUPAC name of 2-(4-hydroxyiminopiperidin-1-yl)-N-methylacetamide (CID 24691032) is 2-(4-hydroxyiminopiperidin-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(4-hydroxyiminopiperidin-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(4-hydroxyiminopiperidin-1-yl)-N-methylacetamide is CNC(=O)CN1CCC(=NO)CC1.
What is the InChIKey of 2-(4-hydroxyiminopiperidin-1-yl)-N-methylacetamide?
The InChIKey is TUVGTXKCZHCYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-9-8(12)6-11-4-2-7(10-13)3-5-11/h13H,2-6H2,1H3,(H,9,12).
What are the key properties of 2-(4-hydroxyiminopiperidin-1-yl)-N-methylacetamide?
2-(4-hydroxyiminopiperidin-1-yl)-N-methylacetamide has a molecular weight of 185.23 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyiminopiperidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 24691032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).