cyclohex-3-en-1-yl-(3-ethoxypiperidin-1-yl)methanone

C14H23NO2 — CID 47736162

IUPACcyclohex-3-en-1-yl-(3-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCCN(C(=O)C2CC=CCC2)C1
InChIInChI=1S/C14H23NO2/c1-2-17-13-9-6-10-15(11-13)14(16)12-7-4-3-5-8-12/h3-4,12-13H,2,5-11H2,1H3
InChIKeyCSQDRZWNEDBLOQ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.37
Rot. Bonds3

About cyclohex-3-en-1-yl-(3-ethoxypiperidin-1-yl)methanone

cyclohex-3-en-1-yl-(3-ethoxypiperidin-1-yl)methanone (PubChem CID 47736162) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-(3-ethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-(3-ethoxypiperidin-1-yl)methanone
PubChem CID47736162
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Namecyclohex-3-en-1-yl-(3-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCCN(C(=O)C2CC=CCC2)C1
InChIInChI=1S/C14H23NO2/c1-2-17-13-9-6-10-15(11-13)14(16)12-7-4-3-5-8-12/h3-4,12-13H,2,5-11H2,1H3
InChIKeyCSQDRZWNEDBLOQ-UHFFFAOYSA-N
XLogP2.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethoxypiperidin-1-yl)methanone?
The IUPAC name of cyclohex-3-en-1-yl-(3-ethoxypiperidin-1-yl)methanone (CID 47736162) is cyclohex-3-en-1-yl-(3-ethoxypiperidin-1-yl)methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-(3-ethoxypiperidin-1-yl)methanone?
The canonical SMILES for cyclohex-3-en-1-yl-(3-ethoxypiperidin-1-yl)methanone is CCOC1CCCN(C(=O)C2CC=CCC2)C1.
What is the InChIKey of cyclohex-3-en-1-yl-(3-ethoxypiperidin-1-yl)methanone?
The InChIKey is CSQDRZWNEDBLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-17-13-9-6-10-15(11-13)14(16)12-7-4-3-5-8-12/h3-4,12-13H,2,5-11H2,1H3.
What are the key properties of cyclohex-3-en-1-yl-(3-ethoxypiperidin-1-yl)methanone?
cyclohex-3-en-1-yl-(3-ethoxypiperidin-1-yl)methanone has a molecular weight of 237.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-(3-ethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 47736162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).