[(1R,4S)-4-piperidin-1-ylcyclopent-2-en-1-yl] acetate

C12H19NO2 — CID 59511786

IUPAC[(1R,4S)-4-piperidin-1-ylcyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@H]1C=C[C@@H](N2CCCCC2)C1
InChIInChI=1S/C12H19NO2/c1-10(14)15-12-6-5-11(9-12)13-7-3-2-4-8-13/h5-6,11-12H,2-4,7-9H2,1H3/t11-,12+/m1/s1
InChIKeyNTVUDRDUFYHGFG-NEPJUHHUSA-N
MW209.29 g/mol
LogP1.73
Rot. Bonds2

About [(1R,4S)-4-piperidin-1-ylcyclopent-2-en-1-yl] acetate

[(1R,4S)-4-piperidin-1-ylcyclopent-2-en-1-yl] acetate (PubChem CID 59511786) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is [(1R,4S)-4-piperidin-1-ylcyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R,4S)-4-piperidin-1-ylcyclopent-2-en-1-yl] acetate
PubChem CID59511786
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name[(1R,4S)-4-piperidin-1-ylcyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@H]1C=C[C@@H](N2CCCCC2)C1
InChIInChI=1S/C12H19NO2/c1-10(14)15-12-6-5-11(9-12)13-7-3-2-4-8-13/h5-6,11-12H,2-4,7-9H2,1H3/t11-,12+/m1/s1
InChIKeyNTVUDRDUFYHGFG-NEPJUHHUSA-N
XLogP1.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1R,4S)-4-piperidin-1-ylcyclopent-2-en-1-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-piperidin-1-ylcyclopent-2-en-1-yl] acetate?
The IUPAC name of [(1R,4S)-4-piperidin-1-ylcyclopent-2-en-1-yl] acetate (CID 59511786) is [(1R,4S)-4-piperidin-1-ylcyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [(1R,4S)-4-piperidin-1-ylcyclopent-2-en-1-yl] acetate?
The canonical SMILES for [(1R,4S)-4-piperidin-1-ylcyclopent-2-en-1-yl] acetate is CC(=O)O[C@H]1C=C[C@@H](N2CCCCC2)C1.
What is the InChIKey of [(1R,4S)-4-piperidin-1-ylcyclopent-2-en-1-yl] acetate?
The InChIKey is NTVUDRDUFYHGFG-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10(14)15-12-6-5-11(9-12)13-7-3-2-4-8-13/h5-6,11-12H,2-4,7-9H2,1H3/t11-,12+/m1/s1.
What are the key properties of [(1R,4S)-4-piperidin-1-ylcyclopent-2-en-1-yl] acetate?
[(1R,4S)-4-piperidin-1-ylcyclopent-2-en-1-yl] acetate has a molecular weight of 209.29 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-piperidin-1-ylcyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 59511786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).