1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carbaldehyde

C13H15N3O2S — CID 62654121

IUPAC1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carbaldehyde
SMILESO=CC1CCN(Cc2noc(-c3ccsc3)n2)CC1
InChIInChI=1S/C13H15N3O2S/c17-8-10-1-4-16(5-2-10)7-12-14-13(18-15-12)11-3-6-19-9-11/h3,6,8-10H,1-2,4-5,7H2
InChIKeyPSEHMUDFBSAVNY-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.21
Rot. Bonds4

About 1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carbaldehyde

1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carbaldehyde (PubChem CID 62654121) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carbaldehyde
PubChem CID62654121
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carbaldehyde
SMILESO=CC1CCN(Cc2noc(-c3ccsc3)n2)CC1
InChIInChI=1S/C13H15N3O2S/c17-8-10-1-4-16(5-2-10)7-12-14-13(18-15-12)11-3-6-19-9-11/h3,6,8-10H,1-2,4-5,7H2
InChIKeyPSEHMUDFBSAVNY-UHFFFAOYSA-N
XLogP2.21
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-5-thiophen-3-yl-1,2,4-oxadiazole
CID 115314458
3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
CID 112815198
[3-methyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 102789048
7-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-7-azaspiro[4.4]nonane
CID 75430107
methyl (2R)-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylate
CID 81470168
3-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
CID 102682963
(4aR,8aR)-4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
CID 124775386
3-thiophen-2-yl-5-[[4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 112840492
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 62655744
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 47002355
1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carbaldehyde
CID 62655496
2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanamine
CID 61334504

Frequently Asked Questions

What is the IUPAC name of 1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carbaldehyde?
The IUPAC name of 1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carbaldehyde (CID 62654121) is 1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carbaldehyde.
What is the SMILES notation for 1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carbaldehyde?
The canonical SMILES for 1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carbaldehyde is O=CC1CCN(Cc2noc(-c3ccsc3)n2)CC1.
What is the InChIKey of 1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carbaldehyde?
The InChIKey is PSEHMUDFBSAVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c17-8-10-1-4-16(5-2-10)7-12-14-13(18-15-12)11-3-6-19-9-11/h3,6,8-10H,1-2,4-5,7H2.
What are the key properties of 1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carbaldehyde?
1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carbaldehyde has a molecular weight of 277.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carbaldehyde is sourced from PubChem (CID 62654121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).