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

C14H21NO3 — CID 64767114

IUPACethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CC=CC2)C1
InChIInChI=1S/C14H21NO3/c1-2-18-14(17)12-8-5-9-15(10-12)13(16)11-6-3-4-7-11/h3-4,11-12H,2,5-10H2,1H3
InChIKeyOIUVOFDAXLNVBA-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.75
Rot. Bonds3

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

ethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylate (PubChem CID 64767114) 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-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylate
PubChem CID64767114
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CC=CC2)C1
InChIInChI=1S/C14H21NO3/c1-2-18-14(17)12-8-5-9-15(10-12)13(16)11-6-3-4-7-11/h3-4,11-12H,2,5-10H2,1H3
InChIKeyOIUVOFDAXLNVBA-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
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 1-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxylate
CID 6456283
1-O-tert-butyl 3-O-methyl 5-[(E)-but-2-enyl]piperidine-1,3-dicarboxylate
CID 11403752
methyl 1-[(E)-4-methylpent-2-enoyl]piperidine-3-carboxylate
CID 59745603
1-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyl]piperidine-3-carboxylic acid
CID 66690922
1-Docosa-4,7,10,13,16,19-hexaenoylpiperidine-3-carboxylic acid
CID 66690923
1-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]piperidine-3-carboxylic acid
CID 66695447
3-Methoxycarbonyl-4-prop-2-enylpiperidine-1-carboxylic acid
CID 69324793
7-Ethoxycarbonyl-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 71278301
1-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]piperidine-3-carboxylic acid
CID 89640816
Methyl 2-acetyl-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate
CID 89842651
Ethyl 2-methyl-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate
CID 117916260

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylate (CID 64767114) is ethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)C2CC=CC2)C1.
What is the InChIKey of ethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylate?
The InChIKey is OIUVOFDAXLNVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-2-18-14(17)12-8-5-9-15(10-12)13(16)11-6-3-4-7-11/h3-4,11-12H,2,5-10H2,1H3.
What are the key properties of ethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylate?
ethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 1.75, 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-3-carboxylate is sourced from PubChem (CID 64767114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).