3-(4-hydroxyiminopiperidin-1-yl)-2-methylpropanamide

C9H17N3O2 — CID 43312246

IUPAC3-(4-hydroxyiminopiperidin-1-yl)-2-methylpropanamide
SMILESCC(CN1CCC(=NO)CC1)C(N)=O
InChIInChI=1S/C9H17N3O2/c1-7(9(10)13)6-12-4-2-8(11-14)3-5-12/h7,14H,2-6H2,1H3,(H2,10,13)
InChIKeyCLXBPJIDQKFYRP-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.03
Rot. Bonds3

About 3-(4-hydroxyiminopiperidin-1-yl)-2-methylpropanamide

3-(4-hydroxyiminopiperidin-1-yl)-2-methylpropanamide (PubChem CID 43312246) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-(4-hydroxyiminopiperidin-1-yl)-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-hydroxyiminopiperidin-1-yl)-2-methylpropanamide
PubChem CID43312246
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name3-(4-hydroxyiminopiperidin-1-yl)-2-methylpropanamide
SMILESCC(CN1CCC(=NO)CC1)C(N)=O
InChIInChI=1S/C9H17N3O2/c1-7(9(10)13)6-12-4-2-8(11-14)3-5-12/h7,14H,2-6H2,1H3,(H2,10,13)
InChIKeyCLXBPJIDQKFYRP-UHFFFAOYSA-N
XLogP0.03
TPSA78.92 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 ≤ 50.03
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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Related Compounds

N-Hydroxy-2-methyl-3-(piperidin-1-yl)propanimidic acid--hydrogen chloride (1/1)
CID 211796
N-hydroxy-2-methyl-3-piperidin-1-ylpropanamide
CID 211797
1-[4-(Hydroxyimino)piperidin-1-yl]-2-methylpropan-1-one
CID 24699548
3-(4-Hydroxyiminopiperidin-1-yl)propanamide
CID 43152557
N'-hydroxy-3-(4-methylpiperidin-1-yl)-3-oxopropanimidamide
CID 43155931
N'-hydroxy-3-(3-methylpiperidin-1-yl)-3-oxopropanimidamide
CID 43155989
3-(3,5-dimethylpiperidin-1-yl)-N'-hydroxy-3-oxopropanimidamide
CID 43156120
N-hydroxy-2-methyl-3-(2-methylpiperidin-1-yl)propanamide
CID 45096691
N-ethyl-3-(4-hydroxyiminopiperidin-1-yl)propanamide
CID 55210171
3-(4-hydroxyiminopiperidin-1-yl)-N,N-dimethylpropanamide
CID 60961334
3-(4-ethylpiperidin-1-yl)-N'-hydroxy-3-oxopropanimidamide
CID 61421519
3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide
CID 61857193

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyiminopiperidin-1-yl)-2-methylpropanamide?
The IUPAC name of 3-(4-hydroxyiminopiperidin-1-yl)-2-methylpropanamide (CID 43312246) is 3-(4-hydroxyiminopiperidin-1-yl)-2-methylpropanamide.
What is the SMILES notation for 3-(4-hydroxyiminopiperidin-1-yl)-2-methylpropanamide?
The canonical SMILES for 3-(4-hydroxyiminopiperidin-1-yl)-2-methylpropanamide is CC(CN1CCC(=NO)CC1)C(N)=O.
What is the InChIKey of 3-(4-hydroxyiminopiperidin-1-yl)-2-methylpropanamide?
The InChIKey is CLXBPJIDQKFYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-7(9(10)13)6-12-4-2-8(11-14)3-5-12/h7,14H,2-6H2,1H3,(H2,10,13).
What are the key properties of 3-(4-hydroxyiminopiperidin-1-yl)-2-methylpropanamide?
3-(4-hydroxyiminopiperidin-1-yl)-2-methylpropanamide has a molecular weight of 199.25 g/mol, XLogP of 0.03, 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)-2-methylpropanamide is sourced from PubChem (CID 43312246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).