ethyl 1-prop-2-enoylpiperidine-4-carboxylate

C11H17NO3 — CID 23034651

IUPACethyl 1-prop-2-enoylpiperidine-4-carboxylate
SMILESC=CC(=O)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C11H17NO3/c1-3-10(13)12-7-5-9(6-8-12)11(14)15-4-2/h3,9H,1,4-8H2,2H3
InChIKeyFRWJXBYBFQJBCX-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.97
Rot. Bonds3

About ethyl 1-prop-2-enoylpiperidine-4-carboxylate

ethyl 1-prop-2-enoylpiperidine-4-carboxylate (PubChem CID 23034651) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl 1-prop-2-enoylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-prop-2-enoylpiperidine-4-carboxylate
PubChem CID23034651
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nameethyl 1-prop-2-enoylpiperidine-4-carboxylate
SMILESC=CC(=O)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C11H17NO3/c1-3-10(13)12-7-5-9(6-8-12)11(14)15-4-2/h3,9H,1,4-8H2,2H3
InChIKeyFRWJXBYBFQJBCX-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
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

Ethyl 1-acetylpiperidine-4-carboxylate
CID 690430
Ethyl 1-(3-methylbutanoyl)piperidine-4-carboxylate
CID 670003
Sodium 1-(prop-2-enoyl)piperidine-4-carboxylate
CID 71756778
Isonipecotic acid, N-allyloxycarbonyl-, ethyl ester
CID 60700272
Isonipecotic acid, N-acryloyl-, butyl ester
CID 91728650
Isonipecotic acid, N-acryloyl-, hexyl ester
CID 91734410
Isonipecotic acid, N-acryloyl-, decyl ester
CID 91739930
1-Acryloylpiperidine-4-carboxylic acid
CID 18702717
Ethyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 1164515
Isonipecotic acid, N-acryloyl-, heptyl ester
CID 91692761
Isonipecotic acid, N-methacryloyl-, pentyl ester
CID 91695326
Isonipecotic acid, N-allyloxycarbonyl-, propyl ester
CID 91725473

Frequently Asked Questions

What is the IUPAC name of ethyl 1-prop-2-enoylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-prop-2-enoylpiperidine-4-carboxylate (CID 23034651) is ethyl 1-prop-2-enoylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-prop-2-enoylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-prop-2-enoylpiperidine-4-carboxylate is C=CC(=O)N1CCC(C(=O)OCC)CC1.
What is the InChIKey of ethyl 1-prop-2-enoylpiperidine-4-carboxylate?
The InChIKey is FRWJXBYBFQJBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-10(13)12-7-5-9(6-8-12)11(14)15-4-2/h3,9H,1,4-8H2,2H3.
What are the key properties of ethyl 1-prop-2-enoylpiperidine-4-carboxylate?
ethyl 1-prop-2-enoylpiperidine-4-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-prop-2-enoylpiperidine-4-carboxylate is sourced from PubChem (CID 23034651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).