N-ethyl-3-(4-hydroxyiminopiperidin-1-yl)propanamide

C10H19N3O2 — CID 55210171

IUPACN-ethyl-3-(4-hydroxyiminopiperidin-1-yl)propanamide
SMILESCCNC(=O)CCN1CCC(=NO)CC1
InChIInChI=1S/C10H19N3O2/c1-2-11-10(14)5-8-13-6-3-9(12-15)4-7-13/h15H,2-8H2,1H3,(H,11,14)
InChIKeyJFYLTFNGOKLNNZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.44
Rot. Bonds4

About N-ethyl-3-(4-hydroxyiminopiperidin-1-yl)propanamide

N-ethyl-3-(4-hydroxyiminopiperidin-1-yl)propanamide (PubChem CID 55210171) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-ethyl-3-(4-hydroxyiminopiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(4-hydroxyiminopiperidin-1-yl)propanamide
PubChem CID55210171
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN-ethyl-3-(4-hydroxyiminopiperidin-1-yl)propanamide
SMILESCCNC(=O)CCN1CCC(=NO)CC1
InChIInChI=1S/C10H19N3O2/c1-2-11-10(14)5-8-13-6-3-9(12-15)4-7-13/h15H,2-8H2,1H3,(H,11,14)
InChIKeyJFYLTFNGOKLNNZ-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 N-ethyl-3-(4-hydroxyiminopiperidin-1-yl)propanamide?
The IUPAC name of N-ethyl-3-(4-hydroxyiminopiperidin-1-yl)propanamide (CID 55210171) is N-ethyl-3-(4-hydroxyiminopiperidin-1-yl)propanamide.
What is the SMILES notation for N-ethyl-3-(4-hydroxyiminopiperidin-1-yl)propanamide?
The canonical SMILES for N-ethyl-3-(4-hydroxyiminopiperidin-1-yl)propanamide is CCNC(=O)CCN1CCC(=NO)CC1.
What is the InChIKey of N-ethyl-3-(4-hydroxyiminopiperidin-1-yl)propanamide?
The InChIKey is JFYLTFNGOKLNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-2-11-10(14)5-8-13-6-3-9(12-15)4-7-13/h15H,2-8H2,1H3,(H,11,14).
What are the key properties of N-ethyl-3-(4-hydroxyiminopiperidin-1-yl)propanamide?
N-ethyl-3-(4-hydroxyiminopiperidin-1-yl)propanamide 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 N-ethyl-3-(4-hydroxyiminopiperidin-1-yl)propanamide is sourced from PubChem (CID 55210171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).