4-[(1-oxo-3H-2-benzofuran-5-yl)oxy]piperidine-1-carboxylic acid

C14H15NO5 — CID 89445047

IUPAC4-[(1-oxo-3H-2-benzofuran-5-yl)oxy]piperidine-1-carboxylic acid
SMILESO=C1OCc2cc(OC3CCN(C(=O)O)CC3)ccc21
InChIInChI=1S/C14H15NO5/c16-13-12-2-1-11(7-9(12)8-19-13)20-10-3-5-15(6-4-10)14(17)18/h1-2,7,10H,3-6,8H2,(H,17,18)
InChIKeyVBTBDTMQZLRTNH-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.88
Rot. Bonds2

About 4-[(1-oxo-3H-2-benzofuran-5-yl)oxy]piperidine-1-carboxylic acid

4-[(1-oxo-3H-2-benzofuran-5-yl)oxy]piperidine-1-carboxylic acid (PubChem CID 89445047) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 4-[(1-oxo-3H-2-benzofuran-5-yl)oxy]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-oxo-3H-2-benzofuran-5-yl)oxy]piperidine-1-carboxylic acid
PubChem CID89445047
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name4-[(1-oxo-3H-2-benzofuran-5-yl)oxy]piperidine-1-carboxylic acid
SMILESO=C1OCc2cc(OC3CCN(C(=O)O)CC3)ccc21
InChIInChI=1S/C14H15NO5/c16-13-12-2-1-11(7-9(12)8-19-13)20-10-3-5-15(6-4-10)14(17)18/h1-2,7,10H,3-6,8H2,(H,17,18)
InChIKeyVBTBDTMQZLRTNH-UHFFFAOYSA-N
XLogP1.88
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-oxo-3H-2-benzofuran-5-yl)oxy]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(1-oxo-3H-2-benzofuran-5-yl)oxy]piperidine-1-carboxylic acid (CID 89445047) is 4-[(1-oxo-3H-2-benzofuran-5-yl)oxy]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(1-oxo-3H-2-benzofuran-5-yl)oxy]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(1-oxo-3H-2-benzofuran-5-yl)oxy]piperidine-1-carboxylic acid is O=C1OCc2cc(OC3CCN(C(=O)O)CC3)ccc21.
What is the InChIKey of 4-[(1-oxo-3H-2-benzofuran-5-yl)oxy]piperidine-1-carboxylic acid?
The InChIKey is VBTBDTMQZLRTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c16-13-12-2-1-11(7-9(12)8-19-13)20-10-3-5-15(6-4-10)14(17)18/h1-2,7,10H,3-6,8H2,(H,17,18).
What are the key properties of 4-[(1-oxo-3H-2-benzofuran-5-yl)oxy]piperidine-1-carboxylic acid?
4-[(1-oxo-3H-2-benzofuran-5-yl)oxy]piperidine-1-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-oxo-3H-2-benzofuran-5-yl)oxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 89445047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).