3-(morpholin-4-ylmethyl)-1-benzofuran-5-carboxylic acid

C14H15NO4 — CID 117174369

IUPAC3-(morpholin-4-ylmethyl)-1-benzofuran-5-carboxylic acid
SMILESO=C(O)c1ccc2occ(CN3CCOCC3)c2c1
InChIInChI=1S/C14H15NO4/c16-14(17)10-1-2-13-12(7-10)11(9-19-13)8-15-3-5-18-6-4-15/h1-2,7,9H,3-6,8H2,(H,16,17)
InChIKeyZHTUJCAGKKPKPQ-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.96
Rot. Bonds3

About 3-(morpholin-4-ylmethyl)-1-benzofuran-5-carboxylic acid

3-(morpholin-4-ylmethyl)-1-benzofuran-5-carboxylic acid (PubChem CID 117174369) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)-1-benzofuran-5-carboxylic acid.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)-1-benzofuran-5-carboxylic acid
PubChem CID117174369
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name3-(morpholin-4-ylmethyl)-1-benzofuran-5-carboxylic acid
SMILESO=C(O)c1ccc2occ(CN3CCOCC3)c2c1
InChIInChI=1S/C14H15NO4/c16-14(17)10-1-2-13-12(7-10)11(9-19-13)8-15-3-5-18-6-4-15/h1-2,7,9H,3-6,8H2,(H,16,17)
InChIKeyZHTUJCAGKKPKPQ-UHFFFAOYSA-N
XLogP1.96
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(piperidin-1-ylmethyl)-1-benzofuran-5-carboxylic acid
CID 117174366
1-methyl-3-(morpholin-4-ylmethyl)indole-5-carboxylic acid
CID 117175278
3-(morpholin-4-ylmethyl)-1-propan-2-ylindole-5-carboxylic acid
CID 117175764
3-(morpholin-4-ylmethyl)-1-benzofuran-7-ol
CID 84696625
CID 131887032
CID 131887032
3-(morpholin-4-ylmethyl)furan-2-carboxylic acid
CID 43153189
2-(5-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 18872336
3-formyl-1-benzofuran-5-carboxylic acid
CID 82404275
3-[(2-methylphenoxy)methyl]-1-benzofuran-5-carboxylic acid
CID 117174375
4-chloro-3-[4-(morpholin-4-ylmethyl)phenyl]benzoic acid
CID 39234276
3-bromo-4-(2-morpholin-4-ylethyl)benzoic acid
CID 70093082
1-(2-morpholin-4-ylethyl)-3-prop-2-enylindole-5-carboxylic acid
CID 118402250

Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethyl)-1-benzofuran-5-carboxylic acid?
The IUPAC name of 3-(morpholin-4-ylmethyl)-1-benzofuran-5-carboxylic acid (CID 117174369) is 3-(morpholin-4-ylmethyl)-1-benzofuran-5-carboxylic acid.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)-1-benzofuran-5-carboxylic acid?
The canonical SMILES for 3-(morpholin-4-ylmethyl)-1-benzofuran-5-carboxylic acid is O=C(O)c1ccc2occ(CN3CCOCC3)c2c1.
What is the InChIKey of 3-(morpholin-4-ylmethyl)-1-benzofuran-5-carboxylic acid?
The InChIKey is ZHTUJCAGKKPKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c16-14(17)10-1-2-13-12(7-10)11(9-19-13)8-15-3-5-18-6-4-15/h1-2,7,9H,3-6,8H2,(H,16,17).
What are the key properties of 3-(morpholin-4-ylmethyl)-1-benzofuran-5-carboxylic acid?
3-(morpholin-4-ylmethyl)-1-benzofuran-5-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethyl)-1-benzofuran-5-carboxylic acid is sourced from PubChem (CID 117174369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).