1-(4-methylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone

C13H18N2O2S — CID 75981057

IUPAC1-(4-methylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone
SMILESCC1CCN(C(=O)CON=Cc2cccs2)CC1
InChIInChI=1S/C13H18N2O2S/c1-11-4-6-15(7-5-11)13(16)10-17-14-9-12-3-2-8-18-12/h2-3,8-9,11H,4-7,10H2,1H3
InChIKeyKPBGTBHWTKWAFX-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.36
Rot. Bonds4

About 1-(4-methylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone

1-(4-methylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone (PubChem CID 75981057) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone
PubChem CID75981057
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name1-(4-methylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone
SMILESCC1CCN(C(=O)CON=Cc2cccs2)CC1
InChIInChI=1S/C13H18N2O2S/c1-11-4-6-15(7-5-11)13(16)10-17-14-9-12-3-2-8-18-12/h2-3,8-9,11H,4-7,10H2,1H3
InChIKeyKPBGTBHWTKWAFX-UHFFFAOYSA-N
XLogP2.36
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-dimethylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone
CID 75981058
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(E)-thiophen-2-ylmethylideneamino]oxyethanone
CID 51228020
2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-1-(4-methylpiperidin-1-yl)ethanone
CID 7703931
N,N-di(propan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide
CID 78767027
N-(3-methylbutan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide
CID 75265020
(E)-N-ethoxy-1-thiophen-2-ylmethanimine
CID 11344134
1-(azepan-1-yl)-2-[(E)-benzylideneamino]oxyethanone
CID 56692418
(thiophen-2-ylmethylideneamino) acetate
CID 90903453
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
2-(2-chlorophenyl)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]ethanimidamide
CID 47075143
2-(2,6-dibromophenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 60594267
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate
CID 8819801

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone (CID 75981057) is 1-(4-methylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone is CC1CCN(C(=O)CON=Cc2cccs2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone?
The InChIKey is KPBGTBHWTKWAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-11-4-6-15(7-5-11)13(16)10-17-14-9-12-3-2-8-18-12/h2-3,8-9,11H,4-7,10H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone?
1-(4-methylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone has a molecular weight of 266.37 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone is sourced from PubChem (CID 75981057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).