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

C15H19NO4 — CID 78987166

IUPACethyl 1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)/C=C/c1ccco1
InChIInChI=1S/C15H19NO4/c1-2-19-15(18)13-7-3-4-10-16(13)14(17)9-8-12-6-5-11-20-12/h5-6,8-9,11,13H,2-4,7,10H2,1H3/b9-8+
InChIKeySXLOEBJYHXAELN-CMDGGOBGSA-N
MW277.32 g/mol
LogP2.24
Rot. Bonds4

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

ethyl 1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidine-2-carboxylate (PubChem CID 78987166) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl 1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidine-2-carboxylate
PubChem CID78987166
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Nameethyl 1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)/C=C/c1ccco1
InChIInChI=1S/C15H19NO4/c1-2-19-15(18)13-7-3-4-10-16(13)14(17)9-8-12-6-5-11-20-12/h5-6,8-9,11,13H,2-4,7,10H2,1H3/b9-8+
InChIKeySXLOEBJYHXAELN-CMDGGOBGSA-N
XLogP2.24
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 ≤ 52.24
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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Related Compounds

1-[2-(1-aminoethyl)piperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 76990989
ethyl 1-(3-phenylprop-2-enoyl)pyrrolidine-2-carboxylate
CID 4266846
ethyl 1-[3-(3-methylphenyl)prop-2-enoyl]pyrrolidine-2-carboxylate
CID 76912440
1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 77015376
ethyl 1-(3-naphthalen-1-ylprop-2-enoyl)pyrrolidine-2-carboxylate
CID 3943281
3-(furan-2-yl)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 91209753
ethyl 1-[2-[bis(furan-2-ylmethyl)amino]acetyl]piperidine-2-carboxylate
CID 55446136
methyl (2R)-1-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]piperidine-2-carboxylate
CID 79833672
methyl (2S)-1-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]piperidine-2-carboxylate
CID 94814678
ethyl (2R)-1-prop-2-enoylpiperidine-2-carboxylate
CID 121255112
1-[(E)-3-(furan-2-yl)prop-2-enoyl]-3-methylpiperidine-2-carboxylic acid
CID 107069137
ethyl 1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylate
CID 78915855

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidine-2-carboxylate (CID 78987166) is ethyl 1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)/C=C/c1ccco1.
What is the InChIKey of ethyl 1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidine-2-carboxylate?
The InChIKey is SXLOEBJYHXAELN-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H19NO4/c1-2-19-15(18)13-7-3-4-10-16(13)14(17)9-8-12-6-5-11-20-12/h5-6,8-9,11,13H,2-4,7,10H2,1H3/b9-8+.
What are the key properties of ethyl 1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidine-2-carboxylate?
ethyl 1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidine-2-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidine-2-carboxylate is sourced from PubChem (CID 78987166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).