3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde

C10H15N3O2 — CID 115080068

IUPAC3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde
SMILESCN1CCC(Cc2noc(C=O)n2)CC1
InChIInChI=1S/C10H15N3O2/c1-13-4-2-8(3-5-13)6-9-11-10(7-14)15-12-9/h7-8H,2-6H2,1H3
InChIKeyYRMOFLORONVIPO-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.77
Rot. Bonds3

About 3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde

3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde (PubChem CID 115080068) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde.

Molecular Properties

Compound Name3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde
PubChem CID115080068
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde
SMILESCN1CCC(Cc2noc(C=O)n2)CC1
InChIInChI=1S/C10H15N3O2/c1-13-4-2-8(3-5-13)6-9-11-10(7-14)15-12-9/h7-8H,2-6H2,1H3
InChIKeyYRMOFLORONVIPO-UHFFFAOYSA-N
XLogP0.77
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde?
The IUPAC name of 3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde (CID 115080068) is 3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde.
What is the SMILES notation for 3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde?
The canonical SMILES for 3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde is CN1CCC(Cc2noc(C=O)n2)CC1.
What is the InChIKey of 3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde?
The InChIKey is YRMOFLORONVIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13-4-2-8(3-5-13)6-9-11-10(7-14)15-12-9/h7-8H,2-6H2,1H3.
What are the key properties of 3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde?
3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde has a molecular weight of 209.25 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde is sourced from PubChem (CID 115080068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).