ethyl 4-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperazine-1-carboxylate

C15H20N2O5 — CID 7198537

IUPACethyl 4-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(=O)c2ccc(O)cc2O)CC1
InChIInChI=1S/C15H20N2O5/c1-2-22-15(21)17-7-5-16(6-8-17)10-14(20)12-4-3-11(18)9-13(12)19/h3-4,9,18-19H,2,5-8,10H2,1H3
InChIKeyFQHOEIMAVGDPET-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.05
Rot. Bonds4

About ethyl 4-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperazine-1-carboxylate

ethyl 4-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperazine-1-carboxylate (PubChem CID 7198537) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is ethyl 4-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperazine-1-carboxylate
PubChem CID7198537
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Nameethyl 4-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(=O)c2ccc(O)cc2O)CC1
InChIInChI=1S/C15H20N2O5/c1-2-22-15(21)17-7-5-16(6-8-17)10-14(20)12-4-3-11(18)9-13(12)19/h3-4,9,18-19H,2,5-8,10H2,1H3
InChIKeyFQHOEIMAVGDPET-UHFFFAOYSA-N
XLogP1.05
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidin-4-one
CID 60650473
1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidine-4-carboxamide
CID 43219698
ethyl 4-(2,4-dihydroxyphenyl)piperidine-1-carboxylate
CID 46214205
ethyl 4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperazine-1-carboxylate
CID 110368813
ethyl 4-[2-(5-fluoro-1H-indol-3-yl)-2-oxoethyl]piperazine-1-carboxylate
CID 938754
2-(3-aminopiperidin-1-yl)-1-(2,4-dihydroxyphenyl)ethanone
CID 62036900
ethyl 4-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]piperazine-1-carboxylate
CID 110368868
ethyl 4-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]piperazine-1-carboxylate
CID 9431041
(2,4-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43416246
1-(4-bromo-2-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170862066
ethyl 4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperazine-1-carboxylate;hydrochloride
CID 3066137
1-(2,4-dihydroxyphenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
CID 79166787

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperazine-1-carboxylate (CID 7198537) is ethyl 4-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CC(=O)c2ccc(O)cc2O)CC1.
What is the InChIKey of ethyl 4-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperazine-1-carboxylate?
The InChIKey is FQHOEIMAVGDPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-2-22-15(21)17-7-5-16(6-8-17)10-14(20)12-4-3-11(18)9-13(12)19/h3-4,9,18-19H,2,5-8,10H2,1H3.
What are the key properties of ethyl 4-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperazine-1-carboxylate?
ethyl 4-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperazine-1-carboxylate has a molecular weight of 308.33 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperazine-1-carboxylate is sourced from PubChem (CID 7198537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).