ethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-2-carboxylate

C14H21NO3 — CID 79002856

IUPACethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)C1CC=CC1
InChIInChI=1S/C14H21NO3/c1-2-18-14(17)12-9-5-6-10-15(12)13(16)11-7-3-4-8-11/h3-4,11-12H,2,5-10H2,1H3
InChIKeyYJLKJEDCXDQLIH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.90
Rot. Bonds3

About ethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-2-carboxylate

ethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-2-carboxylate (PubChem CID 79002856) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-2-carboxylate
PubChem CID79002856
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)C1CC=CC1
InChIInChI=1S/C14H21NO3/c1-2-18-14(17)12-9-5-6-10-15(12)13(16)11-7-3-4-8-11/h3-4,11-12H,2,5-10H2,1H3
InChIKeyYJLKJEDCXDQLIH-UHFFFAOYSA-N
XLogP1.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.90
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-(2-aminocyclohexanecarbonyl)piperidine-2-carboxylate
CID 64824198
ethyl 1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylate
CID 81128745
2-(2-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103978462
ethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate
CID 113331358
ethyl 1-propanoylpyrrolidine-2-carboxylate
CID 11845503
3-(2-ethoxycarbonylpiperidine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 3784777
ethyl (2R)-1-prop-2-enoylpiperidine-2-carboxylate
CID 121255112
CID 59417753
CID 59417753
ethyl 1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate
CID 78958335
ethyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate
CID 115448178
ethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate
CID 55005769
ethyl (2R)-1-chloropiperidine-2-carboxylate
CID 124514605

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-2-carboxylate (CID 79002856) is ethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)C1CC=CC1.
What is the InChIKey of ethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-2-carboxylate?
The InChIKey is YJLKJEDCXDQLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-2-18-14(17)12-9-5-6-10-15(12)13(16)11-7-3-4-8-11/h3-4,11-12H,2,5-10H2,1H3.
What are the key properties of ethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-2-carboxylate?
ethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-2-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 79002856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).