ethyl 1-[3-(furan-2-yl)prop-2-enoyl]piperidine-4-carboxylate

C15H19NO4 — CID 4878329

IUPACethyl 1-[3-(furan-2-yl)prop-2-enoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C=Cc2ccco2)CC1
InChIInChI=1S/C15H19NO4/c1-2-19-15(18)12-7-9-16(10-8-12)14(17)6-5-13-4-3-11-20-13/h3-6,11-12H,2,7-10H2,1H3
InChIKeyICJSTVHAJIFGFG-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.09
Rot. Bonds4

About ethyl 1-[3-(furan-2-yl)prop-2-enoyl]piperidine-4-carboxylate

ethyl 1-[3-(furan-2-yl)prop-2-enoyl]piperidine-4-carboxylate (PubChem CID 4878329) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl 1-[3-(furan-2-yl)prop-2-enoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(furan-2-yl)prop-2-enoyl]piperidine-4-carboxylate
PubChem CID4878329
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Nameethyl 1-[3-(furan-2-yl)prop-2-enoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C=Cc2ccco2)CC1
InChIInChI=1S/C15H19NO4/c1-2-19-15(18)12-7-9-16(10-8-12)14(17)6-5-13-4-3-11-20-13/h3-6,11-12H,2,7-10H2,1H3
InChIKeyICJSTVHAJIFGFG-UHFFFAOYSA-N
XLogP2.09
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(furan-2-yl)prop-2-enoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-(furan-2-yl)prop-2-enoyl]piperidine-4-carboxylate (CID 4878329) is ethyl 1-[3-(furan-2-yl)prop-2-enoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(furan-2-yl)prop-2-enoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(furan-2-yl)prop-2-enoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C=Cc2ccco2)CC1.
What is the InChIKey of ethyl 1-[3-(furan-2-yl)prop-2-enoyl]piperidine-4-carboxylate?
The InChIKey is ICJSTVHAJIFGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-2-19-15(18)12-7-9-16(10-8-12)14(17)6-5-13-4-3-11-20-13/h3-6,11-12H,2,7-10H2,1H3.
What are the key properties of ethyl 1-[3-(furan-2-yl)prop-2-enoyl]piperidine-4-carboxylate?
ethyl 1-[3-(furan-2-yl)prop-2-enoyl]piperidine-4-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(furan-2-yl)prop-2-enoyl]piperidine-4-carboxylate is sourced from PubChem (CID 4878329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).