(2-oxo-2-piperidin-1-ylethyl) 2-hydroxy-5-methoxybenzoate

C15H19NO5 — CID 7442206

IUPAC(2-oxo-2-piperidin-1-ylethyl) 2-hydroxy-5-methoxybenzoate
SMILESCOc1ccc(O)c(C(=O)OCC(=O)N2CCCCC2)c1
InChIInChI=1S/C15H19NO5/c1-20-11-5-6-13(17)12(9-11)15(19)21-10-14(18)16-7-3-2-4-8-16/h5-6,9,17H,2-4,7-8,10H2,1H3
InChIKeyHIQWQWPBGCZHIG-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.57
Rot. Bonds4

About (2-oxo-2-piperidin-1-ylethyl) 2-hydroxy-5-methoxybenzoate

(2-oxo-2-piperidin-1-ylethyl) 2-hydroxy-5-methoxybenzoate (PubChem CID 7442206) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 2-hydroxy-5-methoxybenzoate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 2-hydroxy-5-methoxybenzoate
PubChem CID7442206
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 2-hydroxy-5-methoxybenzoate
SMILESCOc1ccc(O)c(C(=O)OCC(=O)N2CCCCC2)c1
InChIInChI=1S/C15H19NO5/c1-20-11-5-6-13(17)12(9-11)15(19)21-10-14(18)16-7-3-2-4-8-16/h5-6,9,17H,2-4,7-8,10H2,1H3
InChIKeyHIQWQWPBGCZHIG-UHFFFAOYSA-N
XLogP1.57
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 41105144
[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 18169697
(2-oxo-2-piperidin-1-ylethyl) 2,4-dihydroxybenzoate
CID 2537018
2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]-1-piperidin-1-ylethanone
CID 115900760
[2-(azepan-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2479385
ethyl 4-[2-(2,4-dimethoxybenzoyl)oxyacetyl]piperazine-1-carboxylate
CID 7726293
[2-(azepan-1-yl)-2-oxoethyl] 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoate
CID 25045245
1-(2-hydroxy-5-methoxybenzoyl)piperidine-3-carboxylic acid
CID 43355913
[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-hydroxy-4-methoxybenzoate
CID 8522085
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate
CID 30786174
1-(azepan-1-yl)-2-(3,5-dimethoxyphenoxy)ethanone
CID 112978566
[2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 18155883

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-hydroxy-5-methoxybenzoate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-hydroxy-5-methoxybenzoate (CID 7442206) is (2-oxo-2-piperidin-1-ylethyl) 2-hydroxy-5-methoxybenzoate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 2-hydroxy-5-methoxybenzoate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 2-hydroxy-5-methoxybenzoate is COc1ccc(O)c(C(=O)OCC(=O)N2CCCCC2)c1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 2-hydroxy-5-methoxybenzoate?
The InChIKey is HIQWQWPBGCZHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-20-11-5-6-13(17)12(9-11)15(19)21-10-14(18)16-7-3-2-4-8-16/h5-6,9,17H,2-4,7-8,10H2,1H3.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 2-hydroxy-5-methoxybenzoate?
(2-oxo-2-piperidin-1-ylethyl) 2-hydroxy-5-methoxybenzoate has a molecular weight of 293.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 2-hydroxy-5-methoxybenzoate is sourced from PubChem (CID 7442206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).