5-(1-cyclooct-2-en-1-ylpiperidin-4-yl)-3-methyl-1,2,4-oxadiazole

C16H25N3O — CID 131955862

IUPAC5-(1-cyclooct-2-en-1-ylpiperidin-4-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCN(C3C=CCCCCC3)CC2)n1
InChIInChI=1S/C16H25N3O/c1-13-17-16(20-18-13)14-9-11-19(12-10-14)15-7-5-3-2-4-6-8-15/h5,7,14-15H,2-4,6,8-12H2,1H3
InChIKeyQUBUYCGCYRBZQA-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.45
Rot. Bonds2

About 5-(1-cyclooct-2-en-1-ylpiperidin-4-yl)-3-methyl-1,2,4-oxadiazole

5-(1-cyclooct-2-en-1-ylpiperidin-4-yl)-3-methyl-1,2,4-oxadiazole (PubChem CID 131955862) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-(1-cyclooct-2-en-1-ylpiperidin-4-yl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-cyclooct-2-en-1-ylpiperidin-4-yl)-3-methyl-1,2,4-oxadiazole
PubChem CID131955862
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name5-(1-cyclooct-2-en-1-ylpiperidin-4-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCN(C3C=CCCCCC3)CC2)n1
InChIInChI=1S/C16H25N3O/c1-13-17-16(20-18-13)14-9-11-19(12-10-14)15-7-5-3-2-4-6-8-15/h5,7,14-15H,2-4,6,8-12H2,1H3
InChIKeyQUBUYCGCYRBZQA-UHFFFAOYSA-N
XLogP3.45
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.45
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 5-(1-cyclooct-2-en-1-ylpiperidin-4-yl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-cyclooct-2-en-1-ylpiperidin-4-yl)-3-methyl-1,2,4-oxadiazole (CID 131955862) is 5-(1-cyclooct-2-en-1-ylpiperidin-4-yl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-cyclooct-2-en-1-ylpiperidin-4-yl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-cyclooct-2-en-1-ylpiperidin-4-yl)-3-methyl-1,2,4-oxadiazole is Cc1noc(C2CCN(C3C=CCCCCC3)CC2)n1.
What is the InChIKey of 5-(1-cyclooct-2-en-1-ylpiperidin-4-yl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is QUBUYCGCYRBZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13-17-16(20-18-13)14-9-11-19(12-10-14)15-7-5-3-2-4-6-8-15/h5,7,14-15H,2-4,6,8-12H2,1H3.
What are the key properties of 5-(1-cyclooct-2-en-1-ylpiperidin-4-yl)-3-methyl-1,2,4-oxadiazole?
5-(1-cyclooct-2-en-1-ylpiperidin-4-yl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 275.40 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclooct-2-en-1-ylpiperidin-4-yl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 131955862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).