ethyl 4-[2-(2,4-dihydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate

C16H20N2O7 — CID 2457356

IUPACethyl 4-[2-(2,4-dihydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)COC(=O)c2ccc(O)cc2O)CC1
InChIInChI=1S/C16H20N2O7/c1-2-24-16(23)18-7-5-17(6-8-18)14(21)10-25-15(22)12-4-3-11(19)9-13(12)20/h3-4,9,19-20H,2,5-8,10H2,1H3
InChIKeyASNKCJBYUUTPDL-UHFFFAOYSA-N
MW352.34 g/mol
LogP0.56
Rot. Bonds4

About ethyl 4-[2-(2,4-dihydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate

ethyl 4-[2-(2,4-dihydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate (PubChem CID 2457356) has the molecular formula C16H20N2O7 and a molecular weight of 352.34 g/mol. Its IUPAC name is ethyl 4-[2-(2,4-dihydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2,4-dihydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate
PubChem CID2457356
Molecular FormulaC16H20N2O7
Molecular Weight352.34 g/mol
Exact Mass352.13
IUPAC Nameethyl 4-[2-(2,4-dihydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)COC(=O)c2ccc(O)cc2O)CC1
InChIInChI=1S/C16H20N2O7/c1-2-24-16(23)18-7-5-17(6-8-18)14(21)10-25-15(22)12-4-3-11(19)9-13(12)20/h3-4,9,19-20H,2,5-8,10H2,1H3
InChIKeyASNKCJBYUUTPDL-UHFFFAOYSA-N
XLogP0.56
TPSA116.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2-Morpholin-4-yl-2-oxoethyl) 2-hydroxybenzoate
CID 2094810
2-Formyl-3,5-dimethoxyphenyl morpholine-4-carboxylate
CID 973792
(2-Morpholin-4-yl-2-oxoethyl) 4-hydroxybenzoate
CID 2432955
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dimethoxybenzoate
CID 2474678
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dihydroxybenzoate
CID 2647994
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 4-hydroxybenzoate
CID 4607377
2-Oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl 2,4-dihydroxybenzoate
CID 4845736
2-(1-Piperidinyl)ethyl 2-hydroxy-4-propoxybenzoate
CID 23723184
2-(Diethylamino)-2-oxoethyl 4-hydroxybenzoate
CID 2299102
1-(Diethylamino)-1-oxopropan-2-yl 4-hydroxybenzoate
CID 2900944
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 4-hydroxybenzoate
CID 5015747
propan-2-yl 2-[(E)-3-(2,5-dioxopyrrol-1-yl)prop-1-enyl]-6-hydroxy-4-(3-morpholin-4-ylpropoxy)benzoate
CID 118722020

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2,4-dihydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(2,4-dihydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate (CID 2457356) is ethyl 4-[2-(2,4-dihydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2,4-dihydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(2,4-dihydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)COC(=O)c2ccc(O)cc2O)CC1.
What is the InChIKey of ethyl 4-[2-(2,4-dihydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate?
The InChIKey is ASNKCJBYUUTPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O7/c1-2-24-16(23)18-7-5-17(6-8-18)14(21)10-25-15(22)12-4-3-11(19)9-13(12)20/h3-4,9,19-20H,2,5-8,10H2,1H3.
What are the key properties of ethyl 4-[2-(2,4-dihydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate?
ethyl 4-[2-(2,4-dihydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate has a molecular weight of 352.34 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2,4-dihydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate is sourced from PubChem (CID 2457356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).