4-[2-(4-oxopiperidin-1-yl)ethoxy]benzoic acid

C14H17NO4 — CID 22685674

IUPAC4-[2-(4-oxopiperidin-1-yl)ethoxy]benzoic acid
SMILESO=C1CCN(CCOc2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C14H17NO4/c16-12-5-7-15(8-6-12)9-10-19-13-3-1-11(2-4-13)14(17)18/h1-4H,5-10H2,(H,17,18)
InChIKeyQJGQODCYJTZOBJ-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.43
Rot. Bonds5

About 4-[2-(4-oxopiperidin-1-yl)ethoxy]benzoic acid

4-[2-(4-oxopiperidin-1-yl)ethoxy]benzoic acid (PubChem CID 22685674) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 4-[2-(4-oxopiperidin-1-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-(4-oxopiperidin-1-yl)ethoxy]benzoic acid
PubChem CID22685674
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name4-[2-(4-oxopiperidin-1-yl)ethoxy]benzoic acid
SMILESO=C1CCN(CCOc2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C14H17NO4/c16-12-5-7-15(8-6-12)9-10-19-13-3-1-11(2-4-13)14(17)18/h1-4H,5-10H2,(H,17,18)
InChIKeyQJGQODCYJTZOBJ-UHFFFAOYSA-N
XLogP1.43
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenoxyethyl)piperidin-4-one
CID 70278679
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid
CID 18678227
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 81096927
methane;4-(2-piperidin-1-ylethoxy)benzoic acid;4-(2-piperidin-1-ylethoxy)benzoyl chloride
CID 161045120
4-[3-(4-aminopiperidin-1-yl)propoxy]benzoic acid
CID 129300145
4-[2-(3-oxo-1,4-diazepan-1-yl)ethoxy]benzoic acid
CID 65366467
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
4-(4-hydroxybutoxy)benzoic acid
CID 15218596
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
4-[3-(4,4-dimethylpiperidin-1-yl)propoxy]benzoic acid
CID 63074580

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-oxopiperidin-1-yl)ethoxy]benzoic acid?
The IUPAC name of 4-[2-(4-oxopiperidin-1-yl)ethoxy]benzoic acid (CID 22685674) is 4-[2-(4-oxopiperidin-1-yl)ethoxy]benzoic acid.
What is the SMILES notation for 4-[2-(4-oxopiperidin-1-yl)ethoxy]benzoic acid?
The canonical SMILES for 4-[2-(4-oxopiperidin-1-yl)ethoxy]benzoic acid is O=C1CCN(CCOc2ccc(C(=O)O)cc2)CC1.
What is the InChIKey of 4-[2-(4-oxopiperidin-1-yl)ethoxy]benzoic acid?
The InChIKey is QJGQODCYJTZOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-12-5-7-15(8-6-12)9-10-19-13-3-1-11(2-4-13)14(17)18/h1-4H,5-10H2,(H,17,18).
What are the key properties of 4-[2-(4-oxopiperidin-1-yl)ethoxy]benzoic acid?
4-[2-(4-oxopiperidin-1-yl)ethoxy]benzoic acid has a molecular weight of 263.29 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-oxopiperidin-1-yl)ethoxy]benzoic acid is sourced from PubChem (CID 22685674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).