ethyl 2-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]acetate

C16H28N2O3 — CID 78978558

IUPACethyl 2-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OCC)CC(=O)N1CCCCC1CC
InChIInChI=1S/C16H28N2O3/c1-4-10-17(13-16(20)21-6-3)12-15(19)18-11-8-7-9-14(18)5-2/h4,14H,1,5-13H2,2-3H3
InChIKeyWSHRAFSEXDTKCC-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.83
Rot. Bonds8

About ethyl 2-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]acetate

ethyl 2-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]acetate (PubChem CID 78978558) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is ethyl 2-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]acetate
PubChem CID78978558
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Nameethyl 2-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OCC)CC(=O)N1CCCCC1CC
InChIInChI=1S/C16H28N2O3/c1-4-10-17(13-16(20)21-6-3)12-15(19)18-11-8-7-9-14(18)5-2/h4,14H,1,5-13H2,2-3H3
InChIKeyWSHRAFSEXDTKCC-UHFFFAOYSA-N
XLogP1.83
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-enylamino]acetate
CID 78979118
1-(2-ethylpiperidin-1-yl)pent-4-en-1-one
CID 137321053
2-(dipropylamino)-1-(2-ethylpiperidin-1-yl)ethanone
CID 86910548
ethyl 2-[cyclopentylcarbamoyl(prop-2-enyl)amino]acetate
CID 113331353
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
ethyl 4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]piperazine-1-carboxylate
CID 109029138
ethane;1-(2-prop-2-enylpiperidin-1-yl)pent-4-en-1-one
CID 168982127
ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-prop-2-enylamino]acetate
CID 78979164
1-(2-prop-2-enylazepan-1-yl)propan-1-one
CID 56945571
ethyl 4-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperazine-1-carboxylate
CID 108523595
1-(2-ethylpiperidin-1-yl)pentan-1-one
CID 3041221
ethyl 2-[(2-methylpiperidin-1-yl)sulfonyl-prop-2-enylamino]acetate
CID 78977663

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]acetate?
The IUPAC name of ethyl 2-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]acetate (CID 78978558) is ethyl 2-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]acetate?
The canonical SMILES for ethyl 2-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]acetate is C=CCN(CC(=O)OCC)CC(=O)N1CCCCC1CC.
What is the InChIKey of ethyl 2-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]acetate?
The InChIKey is WSHRAFSEXDTKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-4-10-17(13-16(20)21-6-3)12-15(19)18-11-8-7-9-14(18)5-2/h4,14H,1,5-13H2,2-3H3.
What are the key properties of ethyl 2-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]acetate?
ethyl 2-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]acetate has a molecular weight of 296.41 g/mol, XLogP of 1.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]acetate is sourced from PubChem (CID 78978558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).