3-(4-hydroxyiminopiperidin-1-yl)-N-methylpropanamide

C9H17N3O2 — CID 62324057

IUPAC3-(4-hydroxyiminopiperidin-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCN1CCC(=NO)CC1
InChIInChI=1S/C9H17N3O2/c1-10-9(13)4-7-12-5-2-8(11-14)3-6-12/h14H,2-7H2,1H3,(H,10,13)
InChIKeyATHARHCQJRGYFI-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.05
Rot. Bonds3

About 3-(4-hydroxyiminopiperidin-1-yl)-N-methylpropanamide

3-(4-hydroxyiminopiperidin-1-yl)-N-methylpropanamide (PubChem CID 62324057) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-(4-hydroxyiminopiperidin-1-yl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-hydroxyiminopiperidin-1-yl)-N-methylpropanamide
PubChem CID62324057
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name3-(4-hydroxyiminopiperidin-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCN1CCC(=NO)CC1
InChIInChI=1S/C9H17N3O2/c1-10-9(13)4-7-12-5-2-8(11-14)3-6-12/h14H,2-7H2,1H3,(H,10,13)
InChIKeyATHARHCQJRGYFI-UHFFFAOYSA-N
XLogP0.05
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.05
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 3-(4-hydroxyiminopiperidin-1-yl)-N-methylpropanamide?
The IUPAC name of 3-(4-hydroxyiminopiperidin-1-yl)-N-methylpropanamide (CID 62324057) is 3-(4-hydroxyiminopiperidin-1-yl)-N-methylpropanamide.
What is the SMILES notation for 3-(4-hydroxyiminopiperidin-1-yl)-N-methylpropanamide?
The canonical SMILES for 3-(4-hydroxyiminopiperidin-1-yl)-N-methylpropanamide is CNC(=O)CCN1CCC(=NO)CC1.
What is the InChIKey of 3-(4-hydroxyiminopiperidin-1-yl)-N-methylpropanamide?
The InChIKey is ATHARHCQJRGYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-10-9(13)4-7-12-5-2-8(11-14)3-6-12/h14H,2-7H2,1H3,(H,10,13).
What are the key properties of 3-(4-hydroxyiminopiperidin-1-yl)-N-methylpropanamide?
3-(4-hydroxyiminopiperidin-1-yl)-N-methylpropanamide has a molecular weight of 199.25 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyiminopiperidin-1-yl)-N-methylpropanamide is sourced from PubChem (CID 62324057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).