N-(1-cyanopiperidin-4-yl)-N-hydroxyacetamide

C8H13N3O2 — CID 155065005

IUPACN-(1-cyanopiperidin-4-yl)-N-hydroxyacetamide
SMILESCC(=O)N(O)C1CCN(C#N)CC1
InChIInChI=1S/C8H13N3O2/c1-7(12)11(13)8-2-4-10(6-9)5-3-8/h8,13H,2-5H2,1H3
InChIKeyZWQGVCHFADQVCG-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.17
Rot. Bonds1

About N-(1-cyanopiperidin-4-yl)-N-hydroxyacetamide

N-(1-cyanopiperidin-4-yl)-N-hydroxyacetamide (PubChem CID 155065005) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-(1-cyanopiperidin-4-yl)-N-hydroxyacetamide.

Molecular Properties

Compound NameN-(1-cyanopiperidin-4-yl)-N-hydroxyacetamide
PubChem CID155065005
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN-(1-cyanopiperidin-4-yl)-N-hydroxyacetamide
SMILESCC(=O)N(O)C1CCN(C#N)CC1
InChIInChI=1S/C8H13N3O2/c1-7(12)11(13)8-2-4-10(6-9)5-3-8/h8,13H,2-5H2,1H3
InChIKeyZWQGVCHFADQVCG-UHFFFAOYSA-N
XLogP0.17
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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-(1-cyanopiperidin-4-yl)-N-hydroxyacetamide?
The IUPAC name of N-(1-cyanopiperidin-4-yl)-N-hydroxyacetamide (CID 155065005) is N-(1-cyanopiperidin-4-yl)-N-hydroxyacetamide.
What is the SMILES notation for N-(1-cyanopiperidin-4-yl)-N-hydroxyacetamide?
The canonical SMILES for N-(1-cyanopiperidin-4-yl)-N-hydroxyacetamide is CC(=O)N(O)C1CCN(C#N)CC1.
What is the InChIKey of N-(1-cyanopiperidin-4-yl)-N-hydroxyacetamide?
The InChIKey is ZWQGVCHFADQVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-7(12)11(13)8-2-4-10(6-9)5-3-8/h8,13H,2-5H2,1H3.
What are the key properties of N-(1-cyanopiperidin-4-yl)-N-hydroxyacetamide?
N-(1-cyanopiperidin-4-yl)-N-hydroxyacetamide has a molecular weight of 183.21 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopiperidin-4-yl)-N-hydroxyacetamide is sourced from PubChem (CID 155065005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).