ethyl 2-[3-oxo-1-(3-phenylprop-2-enyl)piperazin-2-yl]acetate

C17H22N2O3 — CID 2997212

IUPACethyl 2-[3-oxo-1-(3-phenylprop-2-enyl)piperazin-2-yl]acetate
SMILESCCOC(=O)CC1C(=O)NCCN1CC=Cc1ccccc1
InChIInChI=1S/C17H22N2O3/c1-2-22-16(20)13-15-17(21)18-10-12-19(15)11-6-9-14-7-4-3-5-8-14/h3-9,15H,2,10-13H2,1H3,(H,18,21)
InChIKeyKADAUVWTIIAFRK-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.45
Rot. Bonds6

About ethyl 2-[3-oxo-1-(3-phenylprop-2-enyl)piperazin-2-yl]acetate

ethyl 2-[3-oxo-1-(3-phenylprop-2-enyl)piperazin-2-yl]acetate (PubChem CID 2997212) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is ethyl 2-[3-oxo-1-(3-phenylprop-2-enyl)piperazin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-oxo-1-(3-phenylprop-2-enyl)piperazin-2-yl]acetate
PubChem CID2997212
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Nameethyl 2-[3-oxo-1-(3-phenylprop-2-enyl)piperazin-2-yl]acetate
SMILESCCOC(=O)CC1C(=O)NCCN1CC=Cc1ccccc1
InChIInChI=1S/C17H22N2O3/c1-2-22-16(20)13-15-17(21)18-10-12-19(15)11-6-9-14-7-4-3-5-8-14/h3-9,15H,2,10-13H2,1H3,(H,18,21)
InChIKeyKADAUVWTIIAFRK-UHFFFAOYSA-N
XLogP1.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-oxo-1-(3-phenylprop-2-enyl)piperazin-2-yl]acetate?
The IUPAC name of ethyl 2-[3-oxo-1-(3-phenylprop-2-enyl)piperazin-2-yl]acetate (CID 2997212) is ethyl 2-[3-oxo-1-(3-phenylprop-2-enyl)piperazin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[3-oxo-1-(3-phenylprop-2-enyl)piperazin-2-yl]acetate?
The canonical SMILES for ethyl 2-[3-oxo-1-(3-phenylprop-2-enyl)piperazin-2-yl]acetate is CCOC(=O)CC1C(=O)NCCN1CC=Cc1ccccc1.
What is the InChIKey of ethyl 2-[3-oxo-1-(3-phenylprop-2-enyl)piperazin-2-yl]acetate?
The InChIKey is KADAUVWTIIAFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-2-22-16(20)13-15-17(21)18-10-12-19(15)11-6-9-14-7-4-3-5-8-14/h3-9,15H,2,10-13H2,1H3,(H,18,21).
What are the key properties of ethyl 2-[3-oxo-1-(3-phenylprop-2-enyl)piperazin-2-yl]acetate?
ethyl 2-[3-oxo-1-(3-phenylprop-2-enyl)piperazin-2-yl]acetate has a molecular weight of 302.37 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-oxo-1-(3-phenylprop-2-enyl)piperazin-2-yl]acetate is sourced from PubChem (CID 2997212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).