[2-(4-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate

C15H19NO3S — CID 2355410

IUPAC[2-(4-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
SMILESCC1CCN(C(=O)COC(=O)/C=C/c2cccs2)CC1
InChIInChI=1S/C15H19NO3S/c1-12-6-8-16(9-7-12)14(17)11-19-15(18)5-4-13-3-2-10-20-13/h2-5,10,12H,6-9,11H2,1H3/b5-4+
InChIKeyWCTKYMHFWVXWSR-SNAWJCMRSA-N
MW293.39 g/mol
LogP2.56
Rot. Bonds4

About [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate (PubChem CID 2355410) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate.

Molecular Properties

Compound Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
PubChem CID2355410
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
SMILESCC1CCN(C(=O)COC(=O)/C=C/c2cccs2)CC1
InChIInChI=1S/C15H19NO3S/c1-12-6-8-16(9-7-12)14(17)11-19-15(18)5-4-13-3-2-10-20-13/h2-5,10,12H,6-9,11H2,1H3/b5-4+
InChIKeyWCTKYMHFWVXWSR-SNAWJCMRSA-N
XLogP2.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.56
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

[2-(cyclohexylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8653731
ethyl 1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxylate
CID 2326411
[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2397565
[2-(ethylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2119250
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2346641
[2-(4-Methylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate
CID 2352391
[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 4355325
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate
CID 24819669
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoate
CID 2564012
(2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-thiophen-2-ylprop-2-enoate
CID 5847709
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 6006873
[2-[di(propan-2-yl)amino]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 5975521

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate?
The IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate (CID 2355410) is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate.
What is the SMILES notation for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate?
The canonical SMILES for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate is CC1CCN(C(=O)COC(=O)/C=C/c2cccs2)CC1.
What is the InChIKey of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate?
The InChIKey is WCTKYMHFWVXWSR-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-12-6-8-16(9-7-12)14(17)11-19-15(18)5-4-13-3-2-10-20-13/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-thiophen-2-ylprop-2-enoate?
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate has a molecular weight of 293.39 g/mol, XLogP of 2.56, 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-thiophen-2-ylprop-2-enoate is sourced from PubChem (CID 2355410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).