3-(4-hydroxyimino-3-methylpiperidin-1-yl)-2-methylpropanamide

C10H19N3O2 — CID 104931116

IUPAC3-(4-hydroxyimino-3-methylpiperidin-1-yl)-2-methylpropanamide
SMILESCC(CN1CCC(=NO)C(C)C1)C(N)=O
InChIInChI=1S/C10H19N3O2/c1-7-5-13(4-3-9(7)12-15)6-8(2)10(11)14/h7-8,15H,3-6H2,1-2H3,(H2,11,14)
InChIKeyFCSYRPRSOKFJFX-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.28
Rot. Bonds3

About 3-(4-hydroxyimino-3-methylpiperidin-1-yl)-2-methylpropanamide

3-(4-hydroxyimino-3-methylpiperidin-1-yl)-2-methylpropanamide (PubChem CID 104931116) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(4-hydroxyimino-3-methylpiperidin-1-yl)-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-hydroxyimino-3-methylpiperidin-1-yl)-2-methylpropanamide
PubChem CID104931116
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name3-(4-hydroxyimino-3-methylpiperidin-1-yl)-2-methylpropanamide
SMILESCC(CN1CCC(=NO)C(C)C1)C(N)=O
InChIInChI=1S/C10H19N3O2/c1-7-5-13(4-3-9(7)12-15)6-8(2)10(11)14/h7-8,15H,3-6H2,1-2H3,(H2,11,14)
InChIKeyFCSYRPRSOKFJFX-UHFFFAOYSA-N
XLogP0.28
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.28
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

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
3-(4-Hydroxyiminopiperidin-1-yl)-2-methylpropanamide
CID 43312246
3-(3-ethylpiperidin-1-yl)-N'-hydroxy-3-oxopropanimidamide
CID 43584866
N-hydroxy-2-methyl-3-(3-methylpiperidin-1-yl)propanamide
CID 45096687
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
2-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide
CID 61857557
2-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxypentanimidamide
CID 61857753

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyimino-3-methylpiperidin-1-yl)-2-methylpropanamide?
The IUPAC name of 3-(4-hydroxyimino-3-methylpiperidin-1-yl)-2-methylpropanamide (CID 104931116) is 3-(4-hydroxyimino-3-methylpiperidin-1-yl)-2-methylpropanamide.
What is the SMILES notation for 3-(4-hydroxyimino-3-methylpiperidin-1-yl)-2-methylpropanamide?
The canonical SMILES for 3-(4-hydroxyimino-3-methylpiperidin-1-yl)-2-methylpropanamide is CC(CN1CCC(=NO)C(C)C1)C(N)=O.
What is the InChIKey of 3-(4-hydroxyimino-3-methylpiperidin-1-yl)-2-methylpropanamide?
The InChIKey is FCSYRPRSOKFJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-7-5-13(4-3-9(7)12-15)6-8(2)10(11)14/h7-8,15H,3-6H2,1-2H3,(H2,11,14).
What are the key properties of 3-(4-hydroxyimino-3-methylpiperidin-1-yl)-2-methylpropanamide?
3-(4-hydroxyimino-3-methylpiperidin-1-yl)-2-methylpropanamide has a molecular weight of 213.28 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyimino-3-methylpiperidin-1-yl)-2-methylpropanamide is sourced from PubChem (CID 104931116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).