1-(4-hydroxyiminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one

C11H20N2O3 — CID 103020751

IUPAC1-(4-hydroxyiminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one
SMILESCOC(C)(C)CC(=O)N1CCC(=NO)CC1
InChIInChI=1S/C11H20N2O3/c1-11(2,16-3)8-10(14)13-6-4-9(12-15)5-7-13/h15H,4-8H2,1-3H3
InChIKeyAESXIGZXHLHJBL-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.25
Rot. Bonds3

About 1-(4-hydroxyiminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one

1-(4-hydroxyiminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one (PubChem CID 103020751) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(4-hydroxyiminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(4-hydroxyiminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one
PubChem CID103020751
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-(4-hydroxyiminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one
SMILESCOC(C)(C)CC(=O)N1CCC(=NO)CC1
InChIInChI=1S/C11H20N2O3/c1-11(2,16-3)8-10(14)13-6-4-9(12-15)5-7-13/h15H,4-8H2,1-3H3
InChIKeyAESXIGZXHLHJBL-UHFFFAOYSA-N
XLogP1.25
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
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

1-(4-hydroxyiminopiperidin-1-yl)-4-methylpentan-1-one
CID 28780585
3-methoxy-3-methyl-1-[4-methyl-4-(methylamino)piperidin-1-yl]butan-1-one
CID 103021618
3-[1-(3-methoxy-3-methylbutanoyl)piperidin-4-yl]propanoic acid
CID 103018528
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-methoxy-3-methylbutan-1-one
CID 103021623
2-[4-(3-methoxy-3-methylbutanoyl)piperazin-1-yl]propanethioamide
CID 103020435
1-(3-aminopyrrolidin-1-yl)-3-methoxy-3-methylbutan-1-one
CID 103021399
1-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-3-methoxy-3-methylbutan-1-one
CID 103021500
1-(4-hydroxyiminopiperidin-1-yl)-3-phenoxypropan-1-one
CID 24700835
2-(3-methoxy-3-methylbutanoyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103019250
tert-butyl (3E)-3-hydroxyiminopyrrolidine-1-carboxylate
CID 22849736
1-(3-aminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one
CID 103017160
4-hydroxyimino-N,N-dimethylpiperidine-1-carboxamide
CID 79154081

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyiminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one?
The IUPAC name of 1-(4-hydroxyiminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one (CID 103020751) is 1-(4-hydroxyiminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one.
What is the SMILES notation for 1-(4-hydroxyiminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one?
The canonical SMILES for 1-(4-hydroxyiminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one is COC(C)(C)CC(=O)N1CCC(=NO)CC1.
What is the InChIKey of 1-(4-hydroxyiminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one?
The InChIKey is AESXIGZXHLHJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2,16-3)8-10(14)13-6-4-9(12-15)5-7-13/h15H,4-8H2,1-3H3.
What are the key properties of 1-(4-hydroxyiminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one?
1-(4-hydroxyiminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one has a molecular weight of 228.29 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyiminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one is sourced from PubChem (CID 103020751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).