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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Related Compounds

4-naphthalen-2-yloxypiperidine-1-carboxylic acid
CID 18423340
5-(2-hydroxycyclopentyl)oxy-3H-2-benzofuran-1-one
CID 146296856
2-fluoro-4-[3-oxo-3-[4-[(1-oxo-3H-2-benzofuran-5-yl)oxy]piperidin-1-yl]propyl]benzonitrile
CID 86730555
4-(3-chlorophenoxy)piperidine-1-carboxylic acid
CID 22353407
4-[(2-oxo-1H-pyridin-4-yl)oxy]piperidine-1-carboxylic acid
CID 91402575
5-[(2S)-2-methylcyclobutyl]oxy-3H-2-benzofuran-1-one
CID 162154699
4-(4-chloro-3-hydroxyphenoxy)piperidine-1-carboxylic acid
CID 135387758
4-[3-(1,3-benzoxazol-2-yl)-2-oxochromen-7-yl]oxypiperidine-1-carboxylic acid
CID 118037871
5-[(1S,2R)-2-amino-3-methylcyclopentyl]oxy-3H-2-benzofuran-1-one
CID 169079955
4-[[3-(cyclobutadienyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]oxy]piperidine-1-carboxylic acid
CID 57453916
4-[[1-(4-methoxyphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 57468346
4-[4-(6-amino-2-pyridinyl)-3-methoxyphenoxy]piperidine-1-carboxylic acid
CID 66624899

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).