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

C17H25N3O2 — CID 45230391

IUPACcyclohex-3-en-1-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCC(C)c1noc(C2CCCN(C(=O)C3CC=CCC3)C2)n1
InChIInChI=1S/C17H25N3O2/c1-12(2)15-18-16(22-19-15)14-9-6-10-20(11-14)17(21)13-7-4-3-5-8-13/h3-4,12-14H,5-11H2,1-2H3
InChIKeyZQZKUCLDVFIVAB-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.26
Rot. Bonds3

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

cyclohex-3-en-1-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 45230391) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID45230391
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Namecyclohex-3-en-1-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCC(C)c1noc(C2CCCN(C(=O)C3CC=CCC3)C2)n1
InChIInChI=1S/C17H25N3O2/c1-12(2)15-18-16(22-19-15)14-9-6-10-20(11-14)17(21)13-7-4-3-5-8-13/h3-4,12-14H,5-11H2,1-2H3
InChIKeyZQZKUCLDVFIVAB-UHFFFAOYSA-N
XLogP3.26
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclohex-3-en-1-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 45230391) is cyclohex-3-en-1-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclohex-3-en-1-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is CC(C)c1noc(C2CCCN(C(=O)C3CC=CCC3)C2)n1.
What is the InChIKey of cyclohex-3-en-1-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is ZQZKUCLDVFIVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(2)15-18-16(22-19-15)14-9-6-10-20(11-14)17(21)13-7-4-3-5-8-13/h3-4,12-14H,5-11H2,1-2H3.
What are the key properties of cyclohex-3-en-1-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
cyclohex-3-en-1-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 303.41 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 45230391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).