3-(piperidin-1-ylmethyl)-1-benzofuran-5-carboxylic acid

C15H17NO3 — CID 117174366

IUPAC3-(piperidin-1-ylmethyl)-1-benzofuran-5-carboxylic acid
SMILESO=C(O)c1ccc2occ(CN3CCCCC3)c2c1
InChIInChI=1S/C15H17NO3/c17-15(18)11-4-5-14-13(8-11)12(10-19-14)9-16-6-2-1-3-7-16/h4-5,8,10H,1-3,6-7,9H2,(H,17,18)
InChIKeyJQNMWEYBSZFFGC-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.12
Rot. Bonds3

About 3-(piperidin-1-ylmethyl)-1-benzofuran-5-carboxylic acid

3-(piperidin-1-ylmethyl)-1-benzofuran-5-carboxylic acid (PubChem CID 117174366) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(piperidin-1-ylmethyl)-1-benzofuran-5-carboxylic acid.

Molecular Properties

Compound Name3-(piperidin-1-ylmethyl)-1-benzofuran-5-carboxylic acid
PubChem CID117174366
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name3-(piperidin-1-ylmethyl)-1-benzofuran-5-carboxylic acid
SMILESO=C(O)c1ccc2occ(CN3CCCCC3)c2c1
InChIInChI=1S/C15H17NO3/c17-15(18)11-4-5-14-13(8-11)12(10-19-14)9-16-6-2-1-3-7-16/h4-5,8,10H,1-3,6-7,9H2,(H,17,18)
InChIKeyJQNMWEYBSZFFGC-UHFFFAOYSA-N
XLogP3.12
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(morpholin-4-ylmethyl)-1-benzofuran-5-carboxylic acid
CID 117174369
6-hydroxy-3-(piperidin-1-ylmethyl)chromen-4-one
CID 11978440
1-(1-benzofuran-3-ylmethyl)pyrrolidine
CID 67148297
3-(azepan-1-ylmethyl)-6-chlorochromen-4-one
CID 783077
3-methoxy-4-(piperidin-1-ylmethyl)benzoic acid
CID 117219368
2-[4-(1-benzofuran-3-ylmethyl)-1,4-diazepan-1-yl]acetic acid
CID 80703690
2-piperidin-1-yl-1-[8-(2-piperidin-1-ylacetyl)dibenzofuran-2-yl]ethanone;dihydrate;dihydrochloride
CID 21327084
3-nitro-4-(piperidin-1-ylmethyl)benzoic acid;hydrochloride
CID 174766301
5-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid
CID 62267284
3-nitro-4-(pyrrolidin-1-ylmethyl)benzoic acid
CID 21182684
2-(5-fluoro-1-benzofuran-3-yl)-1-piperidin-1-ylethanone
CID 110488716
3-formyl-1-benzofuran-5-carboxylic acid
CID 82404275

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-1-ylmethyl)-1-benzofuran-5-carboxylic acid?
The IUPAC name of 3-(piperidin-1-ylmethyl)-1-benzofuran-5-carboxylic acid (CID 117174366) is 3-(piperidin-1-ylmethyl)-1-benzofuran-5-carboxylic acid.
What is the SMILES notation for 3-(piperidin-1-ylmethyl)-1-benzofuran-5-carboxylic acid?
The canonical SMILES for 3-(piperidin-1-ylmethyl)-1-benzofuran-5-carboxylic acid is O=C(O)c1ccc2occ(CN3CCCCC3)c2c1.
What is the InChIKey of 3-(piperidin-1-ylmethyl)-1-benzofuran-5-carboxylic acid?
The InChIKey is JQNMWEYBSZFFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-15(18)11-4-5-14-13(8-11)12(10-19-14)9-16-6-2-1-3-7-16/h4-5,8,10H,1-3,6-7,9H2,(H,17,18).
What are the key properties of 3-(piperidin-1-ylmethyl)-1-benzofuran-5-carboxylic acid?
3-(piperidin-1-ylmethyl)-1-benzofuran-5-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-1-ylmethyl)-1-benzofuran-5-carboxylic acid is sourced from PubChem (CID 117174366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).