ethyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate

C15H23NO3 — CID 43406989

IUPACethyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CC2C=CCC2)C1
InChIInChI=1S/C15H23NO3/c1-2-19-15(18)13-8-5-9-16(11-13)14(17)10-12-6-3-4-7-12/h3,6,12-13H,2,4-5,7-11H2,1H3
InChIKeyCGPKFPWSVWLUHD-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.14
Rot. Bonds4

About ethyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate

ethyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate (PubChem CID 43406989) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate
PubChem CID43406989
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CC2C=CCC2)C1
InChIInChI=1S/C15H23NO3/c1-2-19-15(18)13-8-5-9-16(11-13)14(17)10-12-6-3-4-7-12/h3,6,12-13H,2,4-5,7-11H2,1H3
InChIKeyCGPKFPWSVWLUHD-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 1-(1-cyclopentenylcarbonyl)-3-piperidinecarboxylate
CID 46113474
ethyl (3R)-3-[(1R)-1-(piperidine-1-carbonyl)cyclopent-2-en-1-yl]butanoate
CID 13775361
N-oleoyl-4-(3-acetoxypropyl) piperidine
CID 129727940
Ethyl 1-[(1-cyclohexen-1-yl)carbonyl]-3-piperidinecarboxylate
CID 129840111
methyl (4R)-4-but-3-enyl-1,5-dimethyl-2-oxopiperidine-3-carboxylate
CID 134859101
Ethyl 1-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxylate
CID 6456283
methyl 5-[(E)-but-2-enyl]-6-oxopiperidine-3-carboxylate
CID 11321796
1-O-tert-butyl 3-O-methyl 5-[(E)-but-2-enyl]piperidine-1,3-dicarboxylate
CID 11403752
2,6-Dimethyl 2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylate
CID 14110890
methyl 1-[(E)-4-methylpent-2-enoyl]piperidine-3-carboxylate
CID 59745603
7-Ethoxycarbonyl-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 71278301
1-[(6E,9E,12E)-octadeca-6,9,12-trienoyl]piperidine-3-carboxylic acid
CID 89640814

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate (CID 43406989) is ethyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)CC2C=CCC2)C1.
What is the InChIKey of ethyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate?
The InChIKey is CGPKFPWSVWLUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-19-15(18)13-8-5-9-16(11-13)14(17)10-12-6-3-4-7-12/h3,6,12-13H,2,4-5,7-11H2,1H3.
What are the key properties of ethyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate?
ethyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate has a molecular weight of 265.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate is sourced from PubChem (CID 43406989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).