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

C10H15N3O2 — CID 115080126

IUPAC3-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde
SMILESCN1CCCCC1Cc1noc(C=O)n1
InChIInChI=1S/C10H15N3O2/c1-13-5-3-2-4-8(13)6-9-11-10(7-14)15-12-9/h7-8H,2-6H2,1H3
InChIKeyXYHOUFXEWVXTAZ-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.91
Rot. Bonds3

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

3-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde (PubChem CID 115080126) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde.

Molecular Properties

Compound Name3-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde
PubChem CID115080126
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde
SMILESCN1CCCCC1Cc1noc(C=O)n1
InChIInChI=1S/C10H15N3O2/c1-13-5-3-2-4-8(13)6-9-11-10(7-14)15-12-9/h7-8H,2-6H2,1H3
InChIKeyXYHOUFXEWVXTAZ-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde
CID 115415907
N-methyl-3-[3-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081650
N-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 115081137
1-[5-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115078416
5-bromo-3-[(1-ethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole
CID 115079772
3-[3-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081652
5-[(1-methylpiperidin-2-yl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole
CID 115078349
2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]acetaldehyde
CID 115086163
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 106025406
5-[(1-methylpiperidin-2-yl)methyl]-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 115078374
5-[(1-ethylpiperidin-2-yl)methyl]-1,2-oxazole-3-carbaldehyde
CID 115094179
1-methyl-2-[(1-methylpiperidin-2-yl)methyl]piperidine
CID 54394556

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde?
The IUPAC name of 3-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde (CID 115080126) is 3-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde.
What is the SMILES notation for 3-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde?
The canonical SMILES for 3-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde is CN1CCCCC1Cc1noc(C=O)n1.
What is the InChIKey of 3-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde?
The InChIKey is XYHOUFXEWVXTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13-5-3-2-4-8(13)6-9-11-10(7-14)15-12-9/h7-8H,2-6H2,1H3.
What are the key properties of 3-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde?
3-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde has a molecular weight of 209.25 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde is sourced from PubChem (CID 115080126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).