methyl 2-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-2-yl]acetate

C15H23NO3 — CID 54899904

IUPACmethyl 2-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)CC1C=CCC1
InChIInChI=1S/C15H23NO3/c1-19-15(18)11-13-8-4-5-9-16(13)14(17)10-12-6-2-3-7-12/h2,6,12-13H,3-5,7-11H2,1H3
InChIKeyWLDUXCJNUBIKOA-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.29
Rot. Bonds4

About methyl 2-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-2-yl]acetate

methyl 2-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-2-yl]acetate (PubChem CID 54899904) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 2-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-2-yl]acetate
PubChem CID54899904
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 2-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)CC1C=CCC1
InChIInChI=1S/C15H23NO3/c1-19-15(18)11-13-8-4-5-9-16(13)14(17)10-12-6-2-3-7-12/h2,6,12-13H,3-5,7-11H2,1H3
InChIKeyWLDUXCJNUBIKOA-UHFFFAOYSA-N
XLogP2.29
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-2-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 methyl 2-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-2-yl]acetate (CID 54899904) is methyl 2-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)CC1C=CCC1.
What is the InChIKey of methyl 2-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-2-yl]acetate?
The InChIKey is WLDUXCJNUBIKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-19-15(18)11-13-8-4-5-9-16(13)14(17)10-12-6-2-3-7-12/h2,6,12-13H,3-5,7-11H2,1H3.
What are the key properties of methyl 2-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-2-yl]acetate?
methyl 2-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-2-yl]acetate has a molecular weight of 265.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-2-yl]acetate is sourced from PubChem (CID 54899904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).