(2-oxo-2-piperidin-1-ylethyl) 2,4-dihydroxybenzoate

C14H17NO5 — CID 2537018

IUPAC(2-oxo-2-piperidin-1-ylethyl) 2,4-dihydroxybenzoate
SMILESO=C(OCC(=O)N1CCCCC1)c1ccc(O)cc1O
InChIInChI=1S/C14H17NO5/c16-10-4-5-11(12(17)8-10)14(19)20-9-13(18)15-6-2-1-3-7-15/h4-5,8,16-17H,1-3,6-7,9H2
InChIKeyAHFDDKIQWKKTLO-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.27
Rot. Bonds3

About (2-oxo-2-piperidin-1-ylethyl) 2,4-dihydroxybenzoate

(2-oxo-2-piperidin-1-ylethyl) 2,4-dihydroxybenzoate (PubChem CID 2537018) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 2,4-dihydroxybenzoate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 2,4-dihydroxybenzoate
PubChem CID2537018
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 2,4-dihydroxybenzoate
SMILESO=C(OCC(=O)N1CCCCC1)c1ccc(O)cc1O
InChIInChI=1S/C14H17NO5/c16-10-4-5-11(12(17)8-10)14(19)20-9-13(18)15-6-2-1-3-7-15/h4-5,8,16-17H,1-3,6-7,9H2
InChIKeyAHFDDKIQWKKTLO-UHFFFAOYSA-N
XLogP1.27
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2537005
[2-(azepan-1-yl)-2-oxoethyl] 2,4-dichlorobenzoate
CID 23791825
(2-morpholin-4-yl-2-oxoethyl) 2-hydroxy-4-methylbenzoate
CID 2611661
(2-oxo-2-piperidin-1-ylethyl) 2-hydroxy-5-methoxybenzoate
CID 7442206
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2,4-dihydroxybenzoate
CID 7870792
oxalic acid;3-piperidin-1-ylpropyl 2,4-dihydroxybenzoate
CID 18530446
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-chloro-2-hydroxybenzoate
CID 7990421
[2-(cyclohexylamino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2536941
[2-(cyclooctylamino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2536846
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-chloro-2-hydroxybenzoate
CID 7500183
[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 31150408
[2-(azocan-1-yl)-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate
CID 8563381

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2,4-dihydroxybenzoate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2,4-dihydroxybenzoate (CID 2537018) is (2-oxo-2-piperidin-1-ylethyl) 2,4-dihydroxybenzoate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 2,4-dihydroxybenzoate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 2,4-dihydroxybenzoate is O=C(OCC(=O)N1CCCCC1)c1ccc(O)cc1O.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 2,4-dihydroxybenzoate?
The InChIKey is AHFDDKIQWKKTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c16-10-4-5-11(12(17)8-10)14(19)20-9-13(18)15-6-2-1-3-7-15/h4-5,8,16-17H,1-3,6-7,9H2.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 2,4-dihydroxybenzoate?
(2-oxo-2-piperidin-1-ylethyl) 2,4-dihydroxybenzoate has a molecular weight of 279.29 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 2,4-dihydroxybenzoate is sourced from PubChem (CID 2537018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).