[2-(4-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

C15H19NO4 — CID 2099363

IUPAC[2-(4-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESCC1CCN(C(=O)COC(=O)/C=C/c2ccco2)CC1
InChIInChI=1S/C15H19NO4/c1-12-6-8-16(9-7-12)14(17)11-20-15(18)5-4-13-3-2-10-19-13/h2-5,10,12H,6-9,11H2,1H3/b5-4+
InChIKeyLRTWGVQZHFACCI-SNAWJCMRSA-N
MW277.32 g/mol
LogP2.09
Rot. Bonds4

About [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate (PubChem CID 2099363) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
PubChem CID2099363
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESCC1CCN(C(=O)COC(=O)/C=C/c2ccco2)CC1
InChIInChI=1S/C15H19NO4/c1-12-6-8-16(9-7-12)14(17)11-20-15(18)5-4-13-3-2-10-19-13/h2-5,10,12H,6-9,11H2,1H3/b5-4+
InChIKeyLRTWGVQZHFACCI-SNAWJCMRSA-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 [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate (CID 2099363) is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is CC1CCN(C(=O)COC(=O)/C=C/c2ccco2)CC1.
What is the InChIKey of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The InChIKey is LRTWGVQZHFACCI-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H19NO4/c1-12-6-8-16(9-7-12)14(17)11-20-15(18)5-4-13-3-2-10-19-13/h2-5,10,12H,6-9,11H2,1H3/b5-4+.
What are the key properties of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate 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 [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 2099363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).