2-(4-hydroxyiminopiperidin-1-yl)-N,N-dimethylacetamide

C9H17N3O2 — CID 24710256

IUPAC2-(4-hydroxyiminopiperidin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC(=NO)CC1
InChIInChI=1S/C9H17N3O2/c1-11(2)9(13)7-12-5-3-8(10-14)4-6-12/h14H,3-7H2,1-2H3
InChIKeyNAOPTQSRSIESRW-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.00
Rot. Bonds2

About 2-(4-hydroxyiminopiperidin-1-yl)-N,N-dimethylacetamide

2-(4-hydroxyiminopiperidin-1-yl)-N,N-dimethylacetamide (PubChem CID 24710256) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-(4-hydroxyiminopiperidin-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-hydroxyiminopiperidin-1-yl)-N,N-dimethylacetamide
PubChem CID24710256
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-(4-hydroxyiminopiperidin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC(=NO)CC1
InChIInChI=1S/C9H17N3O2/c1-11(2)9(13)7-12-5-3-8(10-14)4-6-12/h14H,3-7H2,1-2H3
InChIKeyNAOPTQSRSIESRW-UHFFFAOYSA-N
XLogP0.00
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.00
H-Bond Donors ≤ 51
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 2-(4-hydroxyiminopiperidin-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(4-hydroxyiminopiperidin-1-yl)-N,N-dimethylacetamide (CID 24710256) is 2-(4-hydroxyiminopiperidin-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-hydroxyiminopiperidin-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-hydroxyiminopiperidin-1-yl)-N,N-dimethylacetamide is CN(C)C(=O)CN1CCC(=NO)CC1.
What is the InChIKey of 2-(4-hydroxyiminopiperidin-1-yl)-N,N-dimethylacetamide?
The InChIKey is NAOPTQSRSIESRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-11(2)9(13)7-12-5-3-8(10-14)4-6-12/h14H,3-7H2,1-2H3.
What are the key properties of 2-(4-hydroxyiminopiperidin-1-yl)-N,N-dimethylacetamide?
2-(4-hydroxyiminopiperidin-1-yl)-N,N-dimethylacetamide has a molecular weight of 199.25 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyiminopiperidin-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 24710256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).