ethyl (2R)-1-prop-2-enoylpiperidine-2-carboxylate

C11H17NO3 — CID 121255112

IUPACethyl (2R)-1-prop-2-enoylpiperidine-2-carboxylate
SMILESC=CC(=O)N1CCCC[C@@H]1C(=O)OCC
InChIInChI=1S/C11H17NO3/c1-3-10(13)12-8-6-5-7-9(12)11(14)15-4-2/h3,9H,1,4-8H2,2H3/t9-/m1/s1
InChIKeyJWLQCFOXLUGLOR-SECBINFHSA-N
MW211.26 g/mol
LogP1.12
Rot. Bonds3

About ethyl (2R)-1-prop-2-enoylpiperidine-2-carboxylate

ethyl (2R)-1-prop-2-enoylpiperidine-2-carboxylate (PubChem CID 121255112) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl (2R)-1-prop-2-enoylpiperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-1-prop-2-enoylpiperidine-2-carboxylate
PubChem CID121255112
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nameethyl (2R)-1-prop-2-enoylpiperidine-2-carboxylate
SMILESC=CC(=O)N1CCCC[C@@H]1C(=O)OCC
InChIInChI=1S/C11H17NO3/c1-3-10(13)12-8-6-5-7-9(12)11(14)15-4-2/h3,9H,1,4-8H2,2H3/t9-/m1/s1
InChIKeyJWLQCFOXLUGLOR-SECBINFHSA-N
XLogP1.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethylpropyl 1-prop-2-enoylpyrrolidine-2-carboxylate
CID 14282278
ethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate
CID 113331358
ethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate
CID 55005769
CID 59417753
CID 59417753
ethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-2-carboxylate
CID 79002856
ethyl 1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate
CID 78958335
ethyl 1-propanoylpyrrolidine-2-carboxylate
CID 11845503
ethyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate
CID 115448178
ethyl 1-(4,4,4-trifluoro-3-methylbut-2-enoyl)pyrrolidine-2-carboxylate
CID 123554694
ethyl (2R)-1-chloropiperidine-2-carboxylate
CID 124514605
ethyl 1-(2-methoxypropanoyl)piperidine-2-carboxylate
CID 112688316
ethyl 1-(2-aminocyclohexanecarbonyl)piperidine-2-carboxylate
CID 64824198

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-1-prop-2-enoylpiperidine-2-carboxylate?
The IUPAC name of ethyl (2R)-1-prop-2-enoylpiperidine-2-carboxylate (CID 121255112) is ethyl (2R)-1-prop-2-enoylpiperidine-2-carboxylate.
What is the SMILES notation for ethyl (2R)-1-prop-2-enoylpiperidine-2-carboxylate?
The canonical SMILES for ethyl (2R)-1-prop-2-enoylpiperidine-2-carboxylate is C=CC(=O)N1CCCC[C@@H]1C(=O)OCC.
What is the InChIKey of ethyl (2R)-1-prop-2-enoylpiperidine-2-carboxylate?
The InChIKey is JWLQCFOXLUGLOR-SECBINFHSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-10(13)12-8-6-5-7-9(12)11(14)15-4-2/h3,9H,1,4-8H2,2H3/t9-/m1/s1.
What are the key properties of ethyl (2R)-1-prop-2-enoylpiperidine-2-carboxylate?
ethyl (2R)-1-prop-2-enoylpiperidine-2-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-1-prop-2-enoylpiperidine-2-carboxylate is sourced from PubChem (CID 121255112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).