1-(4-hydroxyiminopiperidin-1-yl)-4-methylpentan-1-one

C11H20N2O2 — CID 28780585

IUPAC1-(4-hydroxyiminopiperidin-1-yl)-4-methylpentan-1-one
SMILESCC(C)CCC(=O)N1CCC(=NO)CC1
InChIInChI=1S/C11H20N2O2/c1-9(2)3-4-11(14)13-7-5-10(12-15)6-8-13/h9,15H,3-8H2,1-2H3
InChIKeyKXWZESMNOJVWJM-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.88
Rot. Bonds3

About 1-(4-hydroxyiminopiperidin-1-yl)-4-methylpentan-1-one

1-(4-hydroxyiminopiperidin-1-yl)-4-methylpentan-1-one (PubChem CID 28780585) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(4-hydroxyiminopiperidin-1-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name1-(4-hydroxyiminopiperidin-1-yl)-4-methylpentan-1-one
PubChem CID28780585
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-(4-hydroxyiminopiperidin-1-yl)-4-methylpentan-1-one
SMILESCC(C)CCC(=O)N1CCC(=NO)CC1
InChIInChI=1S/C11H20N2O2/c1-9(2)3-4-11(14)13-7-5-10(12-15)6-8-13/h9,15H,3-8H2,1-2H3
InChIKeyKXWZESMNOJVWJM-UHFFFAOYSA-N
XLogP1.88
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(4-hydroxyiminopiperidin-1-yl)-4-methylpentan-1-one 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 1-(4-hydroxyiminopiperidin-1-yl)-4-methylpentan-1-one?
The IUPAC name of 1-(4-hydroxyiminopiperidin-1-yl)-4-methylpentan-1-one (CID 28780585) is 1-(4-hydroxyiminopiperidin-1-yl)-4-methylpentan-1-one.
What is the SMILES notation for 1-(4-hydroxyiminopiperidin-1-yl)-4-methylpentan-1-one?
The canonical SMILES for 1-(4-hydroxyiminopiperidin-1-yl)-4-methylpentan-1-one is CC(C)CCC(=O)N1CCC(=NO)CC1.
What is the InChIKey of 1-(4-hydroxyiminopiperidin-1-yl)-4-methylpentan-1-one?
The InChIKey is KXWZESMNOJVWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9(2)3-4-11(14)13-7-5-10(12-15)6-8-13/h9,15H,3-8H2,1-2H3.
What are the key properties of 1-(4-hydroxyiminopiperidin-1-yl)-4-methylpentan-1-one?
1-(4-hydroxyiminopiperidin-1-yl)-4-methylpentan-1-one has a molecular weight of 212.29 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyiminopiperidin-1-yl)-4-methylpentan-1-one is sourced from PubChem (CID 28780585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).