N-tert-butyl-2-(4-hydroxyiminopiperidin-1-yl)acetamide

C11H21N3O2 — CID 24708650

IUPACN-tert-butyl-2-(4-hydroxyiminopiperidin-1-yl)acetamide
SMILESCC(C)(C)NC(=O)CN1CCC(=NO)CC1
InChIInChI=1S/C11H21N3O2/c1-11(2,3)12-10(15)8-14-6-4-9(13-16)5-7-14/h16H,4-8H2,1-3H3,(H,12,15)
InChIKeyGBJJZMZVFXDAMV-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.83
Rot. Bonds2

About N-tert-butyl-2-(4-hydroxyiminopiperidin-1-yl)acetamide

N-tert-butyl-2-(4-hydroxyiminopiperidin-1-yl)acetamide (PubChem CID 24708650) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-tert-butyl-2-(4-hydroxyiminopiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-hydroxyiminopiperidin-1-yl)acetamide
PubChem CID24708650
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-tert-butyl-2-(4-hydroxyiminopiperidin-1-yl)acetamide
SMILESCC(C)(C)NC(=O)CN1CCC(=NO)CC1
InChIInChI=1S/C11H21N3O2/c1-11(2,3)12-10(15)8-14-6-4-9(13-16)5-7-14/h16H,4-8H2,1-3H3,(H,12,15)
InChIKeyGBJJZMZVFXDAMV-UHFFFAOYSA-N
XLogP0.83
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.83
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'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-hydroxyiminopiperidin-1-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(4-hydroxyiminopiperidin-1-yl)acetamide (CID 24708650) is N-tert-butyl-2-(4-hydroxyiminopiperidin-1-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(4-hydroxyiminopiperidin-1-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(4-hydroxyiminopiperidin-1-yl)acetamide is CC(C)(C)NC(=O)CN1CCC(=NO)CC1.
What is the InChIKey of N-tert-butyl-2-(4-hydroxyiminopiperidin-1-yl)acetamide?
The InChIKey is GBJJZMZVFXDAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-11(2,3)12-10(15)8-14-6-4-9(13-16)5-7-14/h16H,4-8H2,1-3H3,(H,12,15).
What are the key properties of N-tert-butyl-2-(4-hydroxyiminopiperidin-1-yl)acetamide?
N-tert-butyl-2-(4-hydroxyiminopiperidin-1-yl)acetamide has a molecular weight of 227.31 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-hydroxyiminopiperidin-1-yl)acetamide is sourced from PubChem (CID 24708650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).