ethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetate

C15H20N2O4 — CID 2168621

IUPACethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetate
SMILESCCOC(=O)C(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C15H20N2O4/c1-3-21-15(19)14(18)17-10-8-16(9-11-17)12-6-4-5-7-13(12)20-2/h4-7H,3,8-11H2,1-2H3
InChIKeyLJAHKZMJJGVKLR-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.91
Rot. Bonds3

About ethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetate

ethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetate (PubChem CID 2168621) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is ethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetate
PubChem CID2168621
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Nameethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetate
SMILESCCOC(=O)C(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C15H20N2O4/c1-3-21-15(19)14(18)17-10-8-16(9-11-17)12-6-4-5-7-13(12)20-2/h4-7H,3,8-11H2,1-2H3
InChIKeyLJAHKZMJJGVKLR-UHFFFAOYSA-N
XLogP0.91
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetate?
The IUPAC name of ethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetate (CID 2168621) is ethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetate?
The canonical SMILES for ethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetate is CCOC(=O)C(=O)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of ethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetate?
The InChIKey is LJAHKZMJJGVKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-21-15(19)14(18)17-10-8-16(9-11-17)12-6-4-5-7-13(12)20-2/h4-7H,3,8-11H2,1-2H3.
What are the key properties of ethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetate?
ethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetate has a molecular weight of 292.34 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetate is sourced from PubChem (CID 2168621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).