5-piperidin-3-yl-1,3,4-oxadiazole-2-carbaldehyde

C8H11N3O2 — CID 82668755

IUPAC5-piperidin-3-yl-1,3,4-oxadiazole-2-carbaldehyde
SMILESO=Cc1nnc(C2CCCNC2)o1
InChIInChI=1S/C8H11N3O2/c12-5-7-10-11-8(13-7)6-2-1-3-9-4-6/h5-6,9H,1-4H2
InChIKeySJDQBTPMHLVBFO-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.35
Rot. Bonds2

About 5-piperidin-3-yl-1,3,4-oxadiazole-2-carbaldehyde

5-piperidin-3-yl-1,3,4-oxadiazole-2-carbaldehyde (PubChem CID 82668755) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 5-piperidin-3-yl-1,3,4-oxadiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-piperidin-3-yl-1,3,4-oxadiazole-2-carbaldehyde
PubChem CID82668755
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name5-piperidin-3-yl-1,3,4-oxadiazole-2-carbaldehyde
SMILESO=Cc1nnc(C2CCCNC2)o1
InChIInChI=1S/C8H11N3O2/c12-5-7-10-11-8(13-7)6-2-1-3-9-4-6/h5-6,9H,1-4H2
InChIKeySJDQBTPMHLVBFO-UHFFFAOYSA-N
XLogP0.35
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-piperidin-3-yl-1,3-oxazole-5-carbaldehyde
CID 115085525
2-piperidin-3-yl-5-pyrrolidin-1-yl-1,3,4-oxadiazole
CID 82473056
2-[(3S)-piperidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole
CID 96656863
methyl 5-piperidin-3-yl-1,3,4-oxadiazole-2-carboxylate
CID 105464818
N-tert-butyl-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine
CID 110456060
2-(4-methylphenyl)-5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazole
CID 39347689
2-piperidin-3-yl-5-(1,2,3,6-tetrahydropyridin-3-yl)-1,3,4-oxadiazole
CID 5255005
2-(azepan-3-yl)-5-ethyl-1,3,4-oxadiazole
CID 84666395
1-[(3S)-3-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 124956744
3-cyclobutyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818005
3-cyclobutyl-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818006
2-(3-bromophenyl)-5-piperidin-3-yl-1,3,4-oxadiazole
CID 82045304

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-3-yl-1,3,4-oxadiazole-2-carbaldehyde?
The IUPAC name of 5-piperidin-3-yl-1,3,4-oxadiazole-2-carbaldehyde (CID 82668755) is 5-piperidin-3-yl-1,3,4-oxadiazole-2-carbaldehyde.
What is the SMILES notation for 5-piperidin-3-yl-1,3,4-oxadiazole-2-carbaldehyde?
The canonical SMILES for 5-piperidin-3-yl-1,3,4-oxadiazole-2-carbaldehyde is O=Cc1nnc(C2CCCNC2)o1.
What is the InChIKey of 5-piperidin-3-yl-1,3,4-oxadiazole-2-carbaldehyde?
The InChIKey is SJDQBTPMHLVBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c12-5-7-10-11-8(13-7)6-2-1-3-9-4-6/h5-6,9H,1-4H2.
What are the key properties of 5-piperidin-3-yl-1,3,4-oxadiazole-2-carbaldehyde?
5-piperidin-3-yl-1,3,4-oxadiazole-2-carbaldehyde has a molecular weight of 181.19 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-3-yl-1,3,4-oxadiazole-2-carbaldehyde is sourced from PubChem (CID 82668755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).