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

C10H19N3O2 — CID 24697987

IUPAC2-(4-hydroxyiminopiperidin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)CN1CCC(=NO)CC1
InChIInChI=1S/C10H19N3O2/c1-2-5-11-10(14)8-13-6-3-9(12-15)4-7-13/h15H,2-8H2,1H3,(H,11,14)
InChIKeyOLXNFHZRXGBOLN-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.44
Rot. Bonds4

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

2-(4-hydroxyiminopiperidin-1-yl)-N-propylacetamide (PubChem CID 24697987) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(4-hydroxyiminopiperidin-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(4-hydroxyiminopiperidin-1-yl)-N-propylacetamide
PubChem CID24697987
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-(4-hydroxyiminopiperidin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)CN1CCC(=NO)CC1
InChIInChI=1S/C10H19N3O2/c1-2-5-11-10(14)8-13-6-3-9(12-15)4-7-13/h15H,2-8H2,1H3,(H,11,14)
InChIKeyOLXNFHZRXGBOLN-UHFFFAOYSA-N
XLogP0.44
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.44
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 2-(4-hydroxyiminopiperidin-1-yl)-N-propylacetamide?
The IUPAC name of 2-(4-hydroxyiminopiperidin-1-yl)-N-propylacetamide (CID 24697987) is 2-(4-hydroxyiminopiperidin-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(4-hydroxyiminopiperidin-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(4-hydroxyiminopiperidin-1-yl)-N-propylacetamide is CCCNC(=O)CN1CCC(=NO)CC1.
What is the InChIKey of 2-(4-hydroxyiminopiperidin-1-yl)-N-propylacetamide?
The InChIKey is OLXNFHZRXGBOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-2-5-11-10(14)8-13-6-3-9(12-15)4-7-13/h15H,2-8H2,1H3,(H,11,14).
What are the key properties of 2-(4-hydroxyiminopiperidin-1-yl)-N-propylacetamide?
2-(4-hydroxyiminopiperidin-1-yl)-N-propylacetamide has a molecular weight of 213.28 g/mol, XLogP of 0.44, 4 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-propylacetamide is sourced from PubChem (CID 24697987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).