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

C16H20N2O6 — CID 7777030

IUPACethyl 4-[2-(4-hydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)COC(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C16H20N2O6/c1-2-23-16(22)18-9-7-17(8-10-18)14(20)11-24-15(21)12-3-5-13(19)6-4-12/h3-6,19H,2,7-11H2,1H3
InChIKeyCVHZGULMQQZHSX-UHFFFAOYSA-N
MW336.34 g/mol
LogP0.85
Rot. Bonds4

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

ethyl 4-[2-(4-hydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate (PubChem CID 7777030) has the molecular formula C16H20N2O6 and a molecular weight of 336.34 g/mol. Its IUPAC name is ethyl 4-[2-(4-hydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(4-hydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate
PubChem CID7777030
Molecular FormulaC16H20N2O6
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Nameethyl 4-[2-(4-hydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)COC(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C16H20N2O6/c1-2-23-16(22)18-9-7-17(8-10-18)14(20)11-24-15(21)12-3-5-13(19)6-4-12/h3-6,19H,2,7-11H2,1H3
InChIKeyCVHZGULMQQZHSX-UHFFFAOYSA-N
XLogP0.85
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[2-[4-(hydroxymethyl)benzoyl]oxyacetyl]piperazine-1-carboxylate
CID 7871826
ethyl 4-[2-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]oxyacetyl]piperazine-1-carboxylate
CID 7274950
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 4-hydroxybenzoate
CID 2429703
(2-oxo-2-pyrrolidin-1-ylethyl) 4-methylbenzoate;propane
CID 145271189
ethyl 4-[2-(2-hydroxy-3-methylbenzoyl)oxyacetyl]piperazine-1-carboxylate
CID 7840448
[2-(azetidin-1-yl)-2-oxoethyl] 4-methylbenzoate;butane
CID 145271247
ethyl 4-[2-(4-chloro-3-nitrobenzoyl)oxyacetyl]piperazine-1-carboxylate
CID 7764962
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 2601982
[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 2601978
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-hydroxybenzoate
CID 2388350
ethyl 4-hydroxybenzoate;bis(4-hydroxybenzoic acid)
CID 162068565
ethyl 4-[2-[3-(methanesulfonamido)benzoyl]oxyacetyl]piperazine-1-carboxylate
CID 16543117

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4-hydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(4-hydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate (CID 7777030) is ethyl 4-[2-(4-hydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(4-hydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(4-hydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)COC(=O)c2ccc(O)cc2)CC1.
What is the InChIKey of ethyl 4-[2-(4-hydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate?
The InChIKey is CVHZGULMQQZHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6/c1-2-23-16(22)18-9-7-17(8-10-18)14(20)11-24-15(21)12-3-5-13(19)6-4-12/h3-6,19H,2,7-11H2,1H3.
What are the key properties of ethyl 4-[2-(4-hydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate?
ethyl 4-[2-(4-hydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate has a molecular weight of 336.34 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(4-hydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate is sourced from PubChem (CID 7777030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).