cyclohex-3-en-1-yl-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)methanone

C14H19N3O2 — CID 163659045

IUPACcyclohex-3-en-1-yl-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)methanone
SMILESO=C(c1noc(C2CCNCC2)n1)C1CC=CCC1
InChIInChI=1S/C14H19N3O2/c18-12(10-4-2-1-3-5-10)13-16-14(19-17-13)11-6-8-15-9-7-11/h1-2,10-11,15H,3-9H2
InChIKeyISUBLXRMLLMJOV-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.08
Rot. Bonds3

About cyclohex-3-en-1-yl-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)methanone

cyclohex-3-en-1-yl-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)methanone (PubChem CID 163659045) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)methanone
PubChem CID163659045
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Namecyclohex-3-en-1-yl-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)methanone
SMILESO=C(c1noc(C2CCNCC2)n1)C1CC=CCC1
InChIInChI=1S/C14H19N3O2/c18-12(10-4-2-1-3-5-10)13-16-14(19-17-13)11-6-8-15-9-7-11/h1-2,10-11,15H,3-9H2
InChIKeyISUBLXRMLLMJOV-UHFFFAOYSA-N
XLogP2.08
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)methanone?
The IUPAC name of cyclohex-3-en-1-yl-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)methanone (CID 163659045) is cyclohex-3-en-1-yl-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)methanone?
The canonical SMILES for cyclohex-3-en-1-yl-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)methanone is O=C(c1noc(C2CCNCC2)n1)C1CC=CCC1.
What is the InChIKey of cyclohex-3-en-1-yl-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)methanone?
The InChIKey is ISUBLXRMLLMJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-12(10-4-2-1-3-5-10)13-16-14(19-17-13)11-6-8-15-9-7-11/h1-2,10-11,15H,3-9H2.
What are the key properties of cyclohex-3-en-1-yl-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)methanone?
cyclohex-3-en-1-yl-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)methanone has a molecular weight of 261.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)methanone is sourced from PubChem (CID 163659045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).