1-(4-hydroxyiminopiperidin-1-yl)-2-thiophen-2-ylethanone

C11H14N2O2S — CID 24703567

IUPAC1-(4-hydroxyiminopiperidin-1-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC(=NO)CC1
InChIInChI=1S/C11H14N2O2S/c14-11(8-10-2-1-7-16-10)13-5-3-9(12-15)4-6-13/h1-2,7,15H,3-6,8H2
InChIKeyGZPYSIUIGAAZHN-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.74
Rot. Bonds2

About 1-(4-hydroxyiminopiperidin-1-yl)-2-thiophen-2-ylethanone

1-(4-hydroxyiminopiperidin-1-yl)-2-thiophen-2-ylethanone (PubChem CID 24703567) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-(4-hydroxyiminopiperidin-1-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(4-hydroxyiminopiperidin-1-yl)-2-thiophen-2-ylethanone
PubChem CID24703567
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name1-(4-hydroxyiminopiperidin-1-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC(=NO)CC1
InChIInChI=1S/C11H14N2O2S/c14-11(8-10-2-1-7-16-10)13-5-3-9(12-15)4-6-13/h1-2,7,15H,3-6,8H2
InChIKeyGZPYSIUIGAAZHN-UHFFFAOYSA-N
XLogP1.74
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.74
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

2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone
CID 110721392
1-[4-(2-thiophen-2-ylacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796443
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 108536457
3,3-dimethyl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]butan-1-one
CID 110818286
N-[1-(2-thiophen-2-ylethyl)piperidin-4-ylidene]hydroxylamine
CID 63775315
2-(2-fluorophenyl)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110818292
1-(2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-3-yl)-2-thiophen-2-ylethanone
CID 84580201
1-[4-(azepan-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110667085
1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 60719075
1-[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-2-thiophen-2-ylethanone
CID 56866059
1-[4-(1-aminoethyl)piperidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119519452

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyiminopiperidin-1-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(4-hydroxyiminopiperidin-1-yl)-2-thiophen-2-ylethanone (CID 24703567) is 1-(4-hydroxyiminopiperidin-1-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(4-hydroxyiminopiperidin-1-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(4-hydroxyiminopiperidin-1-yl)-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCC(=NO)CC1.
What is the InChIKey of 1-(4-hydroxyiminopiperidin-1-yl)-2-thiophen-2-ylethanone?
The InChIKey is GZPYSIUIGAAZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c14-11(8-10-2-1-7-16-10)13-5-3-9(12-15)4-6-13/h1-2,7,15H,3-6,8H2.
What are the key properties of 1-(4-hydroxyiminopiperidin-1-yl)-2-thiophen-2-ylethanone?
1-(4-hydroxyiminopiperidin-1-yl)-2-thiophen-2-ylethanone has a molecular weight of 238.31 g/mol, XLogP of 1.74, 2 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)-2-thiophen-2-ylethanone is sourced from PubChem (CID 24703567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).