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'}

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Related Compounds

CID 45805657
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CID 139353765
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CID 57831215
CID 57831215
CID 59404833
CID 59404833
CID 59657780
CID 59657780
CID 63772691
CID 63772691
CID 66692945
CID 66692945
CID 70946507
CID 70946507
CID 71120814
CID 71120814
CID 86638744
CID 86638744
CID 91235410
CID 91235410
CID 121458460
CID 121458460

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).