1-benzoyloxypiperidine-4-carboxylic acid

C13H15NO4 — CID 123304248

IUPAC1-benzoyloxypiperidine-4-carboxylic acid
SMILESO=C(ON1CCC(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C13H15NO4/c15-12(16)10-6-8-14(9-7-10)18-13(17)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,15,16)
InChIKeyUJWZSXMGRDSDLR-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.55
Rot. Bonds3

About 1-benzoyloxypiperidine-4-carboxylic acid

1-benzoyloxypiperidine-4-carboxylic acid (PubChem CID 123304248) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-benzoyloxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-benzoyloxypiperidine-4-carboxylic acid
PubChem CID123304248
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name1-benzoyloxypiperidine-4-carboxylic acid
SMILESO=C(ON1CCC(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C13H15NO4/c15-12(16)10-6-8-14(9-7-10)18-13(17)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,15,16)
InChIKeyUJWZSXMGRDSDLR-UHFFFAOYSA-N
XLogP1.55
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyloxypiperidine-4-carboxylic acid?
The IUPAC name of 1-benzoyloxypiperidine-4-carboxylic acid (CID 123304248) is 1-benzoyloxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-benzoyloxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-benzoyloxypiperidine-4-carboxylic acid is O=C(ON1CCC(C(=O)O)CC1)c1ccccc1.
What is the InChIKey of 1-benzoyloxypiperidine-4-carboxylic acid?
The InChIKey is UJWZSXMGRDSDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c15-12(16)10-6-8-14(9-7-10)18-13(17)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,15,16).
What are the key properties of 1-benzoyloxypiperidine-4-carboxylic acid?
1-benzoyloxypiperidine-4-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyloxypiperidine-4-carboxylic acid is sourced from PubChem (CID 123304248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).