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

C11H20N2O3 — CID 107939252

IUPAC1-(4-hydroxyimino-3-methylpiperidin-1-yl)-2-propoxyethanone
SMILESCCCOCC(=O)N1CCC(=NO)C(C)C1
InChIInChI=1S/C11H20N2O3/c1-3-6-16-8-11(14)13-5-4-10(12-15)9(2)7-13/h9,15H,3-8H2,1-2H3
InChIKeyKGWXGRBFTTVCMO-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.11
Rot. Bonds4

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

1-(4-hydroxyimino-3-methylpiperidin-1-yl)-2-propoxyethanone (PubChem CID 107939252) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(4-hydroxyimino-3-methylpiperidin-1-yl)-2-propoxyethanone.

Molecular Properties

Compound Name1-(4-hydroxyimino-3-methylpiperidin-1-yl)-2-propoxyethanone
PubChem CID107939252
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-(4-hydroxyimino-3-methylpiperidin-1-yl)-2-propoxyethanone
SMILESCCCOCC(=O)N1CCC(=NO)C(C)C1
InChIInChI=1S/C11H20N2O3/c1-3-6-16-8-11(14)13-5-4-10(12-15)9(2)7-13/h9,15H,3-8H2,1-2H3
InChIKeyKGWXGRBFTTVCMO-UHFFFAOYSA-N
XLogP1.11
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-hydroxyimino-3-methylpiperidin-1-yl)butan-1-one
CID 104930760
1-(4-hydroxyimino-3-methylpiperidin-1-yl)-3-methoxypropan-1-one
CID 104930793
1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-2-phenylethanone
CID 114500853
1-(2-ethoxyacetyl)-3-methylpiperidin-4-one
CID 114499683
3-cyclohexyl-1-(4-hydroxyimino-3-methylpiperidin-1-yl)propan-1-one
CID 104930829
(4-hydroxyimino-3-methylpiperidin-1-yl)-(4-methylcyclohexyl)methanone
CID 104930803
1-(4-ethyl-3-methylpiperazin-1-yl)-2-propoxyethanone
CID 103846848
1-(2-propoxyacetyl)piperidine-3,4-dicarboxylic acid
CID 107938324
1-(3-ethylpyrrolidin-1-yl)-2-propoxyethanone
CID 103747275
2-(2,5-dimethylphenyl)-1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]ethanone
CID 114500701
1-(2-propoxyacetyl)azetidine-3-carboxylic acid
CID 107938026
1-[2-(hydroxymethyl)morpholin-4-yl]-2-propoxyethanone
CID 103804092

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyimino-3-methylpiperidin-1-yl)-2-propoxyethanone?
The IUPAC name of 1-(4-hydroxyimino-3-methylpiperidin-1-yl)-2-propoxyethanone (CID 107939252) is 1-(4-hydroxyimino-3-methylpiperidin-1-yl)-2-propoxyethanone.
What is the SMILES notation for 1-(4-hydroxyimino-3-methylpiperidin-1-yl)-2-propoxyethanone?
The canonical SMILES for 1-(4-hydroxyimino-3-methylpiperidin-1-yl)-2-propoxyethanone is CCCOCC(=O)N1CCC(=NO)C(C)C1.
What is the InChIKey of 1-(4-hydroxyimino-3-methylpiperidin-1-yl)-2-propoxyethanone?
The InChIKey is KGWXGRBFTTVCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-6-16-8-11(14)13-5-4-10(12-15)9(2)7-13/h9,15H,3-8H2,1-2H3.
What are the key properties of 1-(4-hydroxyimino-3-methylpiperidin-1-yl)-2-propoxyethanone?
1-(4-hydroxyimino-3-methylpiperidin-1-yl)-2-propoxyethanone has a molecular weight of 228.29 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyimino-3-methylpiperidin-1-yl)-2-propoxyethanone is sourced from PubChem (CID 107939252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).