[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2,4-dihydroxybenzoate

C15H19NO5 — CID 2537005

IUPAC[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2,4-dihydroxybenzoate
SMILESCC1CCN(C(=O)COC(=O)c2ccc(O)cc2O)CC1
InChIInChI=1S/C15H19NO5/c1-10-4-6-16(7-5-10)14(19)9-21-15(20)12-3-2-11(17)8-13(12)18/h2-3,8,10,17-18H,4-7,9H2,1H3
InChIKeyHPUBTDHLEUCKND-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.51
Rot. Bonds3

About [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2,4-dihydroxybenzoate

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2,4-dihydroxybenzoate (PubChem CID 2537005) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2,4-dihydroxybenzoate.

Molecular Properties

Compound Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2,4-dihydroxybenzoate
PubChem CID2537005
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2,4-dihydroxybenzoate
SMILESCC1CCN(C(=O)COC(=O)c2ccc(O)cc2O)CC1
InChIInChI=1S/C15H19NO5/c1-10-4-6-16(7-5-10)14(19)9-21-15(20)12-3-2-11(17)8-13(12)18/h2-3,8,10,17-18H,4-7,9H2,1H3
InChIKeyHPUBTDHLEUCKND-UHFFFAOYSA-N
XLogP1.51
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-oxo-2-piperidin-1-ylethyl) 2,4-dihydroxybenzoate
CID 2537018
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-chloro-2-hydroxybenzoate
CID 7500183
(2-morpholin-4-yl-2-oxoethyl) 2-hydroxy-4-methylbenzoate
CID 2611661
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2566537
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 7994131
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2646373
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2352452
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 23938963
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2370489
[2-(cyclopentylamino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2536840
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxylate
CID 3551944
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2654403

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2,4-dihydroxybenzoate?
The IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2,4-dihydroxybenzoate (CID 2537005) is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2,4-dihydroxybenzoate.
What is the SMILES notation for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2,4-dihydroxybenzoate?
The canonical SMILES for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2,4-dihydroxybenzoate is CC1CCN(C(=O)COC(=O)c2ccc(O)cc2O)CC1.
What is the InChIKey of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2,4-dihydroxybenzoate?
The InChIKey is HPUBTDHLEUCKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-10-4-6-16(7-5-10)14(19)9-21-15(20)12-3-2-11(17)8-13(12)18/h2-3,8,10,17-18H,4-7,9H2,1H3.
What are the key properties of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2,4-dihydroxybenzoate?
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2,4-dihydroxybenzoate has a molecular weight of 293.32 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2,4-dihydroxybenzoate is sourced from PubChem (CID 2537005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).