2-cyclopent-2-en-1-yl-1-(3-ethoxypiperidin-1-yl)ethanone

C14H23NO2 — CID 47736347

IUPAC2-cyclopent-2-en-1-yl-1-(3-ethoxypiperidin-1-yl)ethanone
SMILESCCOC1CCCN(C(=O)CC2C=CCC2)C1
InChIInChI=1S/C14H23NO2/c1-2-17-13-8-5-9-15(11-13)14(16)10-12-6-3-4-7-12/h3,6,12-13H,2,4-5,7-11H2,1H3
InChIKeyFXJDLNPPEIXLHV-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.37
Rot. Bonds4

About 2-cyclopent-2-en-1-yl-1-(3-ethoxypiperidin-1-yl)ethanone

2-cyclopent-2-en-1-yl-1-(3-ethoxypiperidin-1-yl)ethanone (PubChem CID 47736347) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-1-(3-ethoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-1-(3-ethoxypiperidin-1-yl)ethanone
PubChem CID47736347
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-cyclopent-2-en-1-yl-1-(3-ethoxypiperidin-1-yl)ethanone
SMILESCCOC1CCCN(C(=O)CC2C=CCC2)C1
InChIInChI=1S/C14H23NO2/c1-2-17-13-8-5-9-15(11-13)14(16)10-12-6-3-4-7-12/h3,6,12-13H,2,4-5,7-11H2,1H3
InChIKeyFXJDLNPPEIXLHV-UHFFFAOYSA-N
XLogP2.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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 2-cyclopent-2-en-1-yl-1-(3-ethoxypiperidin-1-yl)ethanone?
The IUPAC name of 2-cyclopent-2-en-1-yl-1-(3-ethoxypiperidin-1-yl)ethanone (CID 47736347) is 2-cyclopent-2-en-1-yl-1-(3-ethoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-1-(3-ethoxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-cyclopent-2-en-1-yl-1-(3-ethoxypiperidin-1-yl)ethanone is CCOC1CCCN(C(=O)CC2C=CCC2)C1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-1-(3-ethoxypiperidin-1-yl)ethanone?
The InChIKey is FXJDLNPPEIXLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-17-13-8-5-9-15(11-13)14(16)10-12-6-3-4-7-12/h3,6,12-13H,2,4-5,7-11H2,1H3.
What are the key properties of 2-cyclopent-2-en-1-yl-1-(3-ethoxypiperidin-1-yl)ethanone?
2-cyclopent-2-en-1-yl-1-(3-ethoxypiperidin-1-yl)ethanone has a molecular weight of 237.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-1-(3-ethoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 47736347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).