[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-hydroxy-4-methoxybenzoate

C19H21N3O5 — CID 18157810

IUPAC[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-hydroxy-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)N2CCN(c3ccccn3)CC2)c(O)c1
InChIInChI=1S/C19H21N3O5/c1-26-14-5-6-15(16(23)12-14)19(25)27-13-18(24)22-10-8-21(9-11-22)17-4-2-3-7-20-17/h2-7,12,23H,8-11,13H2,1H3
InChIKeyDKLYGWIZRSZJHL-UHFFFAOYSA-N
MW371.39 g/mol
LogP1.30
Rot. Bonds5

About [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-hydroxy-4-methoxybenzoate

[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-hydroxy-4-methoxybenzoate (PubChem CID 18157810) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-hydroxy-4-methoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-hydroxy-4-methoxybenzoate
PubChem CID18157810
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-hydroxy-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)N2CCN(c3ccccn3)CC2)c(O)c1
InChIInChI=1S/C19H21N3O5/c1-26-14-5-6-15(16(23)12-14)19(25)27-13-18(24)22-10-8-21(9-11-22)17-4-2-3-7-20-17/h2-7,12,23H,8-11,13H2,1H3
InChIKeyDKLYGWIZRSZJHL-UHFFFAOYSA-N
XLogP1.30
TPSA92.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-hydroxy-4-methoxybenzoate
CID 8522085
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] anthracene-9-carboxylate
CID 27012435
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-methoxybenzoate
CID 9011210
2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 719964
N-(3-methoxyphenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108950907
2-(2-methoxy-4-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 18104765
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 16570188
(2-oxo-2-piperidin-1-ylethyl) 2-hydroxy-5-methoxybenzoate
CID 7442206
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
2-(4-methoxyphenyl)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 110436668
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-phenylfuran-2-carboxylate
CID 38212425
2-(2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 762691

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-hydroxy-4-methoxybenzoate?
The IUPAC name of [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-hydroxy-4-methoxybenzoate (CID 18157810) is [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-hydroxy-4-methoxybenzoate.
What is the SMILES notation for [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-hydroxy-4-methoxybenzoate?
The canonical SMILES for [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-hydroxy-4-methoxybenzoate is COc1ccc(C(=O)OCC(=O)N2CCN(c3ccccn3)CC2)c(O)c1.
What is the InChIKey of [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-hydroxy-4-methoxybenzoate?
The InChIKey is DKLYGWIZRSZJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-26-14-5-6-15(16(23)12-14)19(25)27-13-18(24)22-10-8-21(9-11-22)17-4-2-3-7-20-17/h2-7,12,23H,8-11,13H2,1H3.
What are the key properties of [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-hydroxy-4-methoxybenzoate?
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-hydroxy-4-methoxybenzoate has a molecular weight of 371.39 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-hydroxy-4-methoxybenzoate is sourced from PubChem (CID 18157810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).