3-[(piperidin-1-ylamino)methyl]-1-benzofuran-2-carboxylic acid

C15H18N2O3 — CID 103261159

IUPAC3-[(piperidin-1-ylamino)methyl]-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1oc2ccccc2c1CNN1CCCCC1
InChIInChI=1S/C15H18N2O3/c18-15(19)14-12(10-16-17-8-4-1-5-9-17)11-6-2-3-7-13(11)20-14/h2-3,6-7,16H,1,4-5,8-10H2,(H,18,19)
InChIKeyFQKQHAWMZGUWGK-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.62
Rot. Bonds4

About 3-[(piperidin-1-ylamino)methyl]-1-benzofuran-2-carboxylic acid

3-[(piperidin-1-ylamino)methyl]-1-benzofuran-2-carboxylic acid (PubChem CID 103261159) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[(piperidin-1-ylamino)methyl]-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name3-[(piperidin-1-ylamino)methyl]-1-benzofuran-2-carboxylic acid
PubChem CID103261159
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-[(piperidin-1-ylamino)methyl]-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1oc2ccccc2c1CNN1CCCCC1
InChIInChI=1S/C15H18N2O3/c18-15(19)14-12(10-16-17-8-4-1-5-9-17)11-6-2-3-7-13(11)20-14/h2-3,6-7,16H,1,4-5,8-10H2,(H,18,19)
InChIKeyFQKQHAWMZGUWGK-UHFFFAOYSA-N
XLogP2.62
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(morpholin-4-ylamino)methyl]-1-benzofuran-2-carboxylic acid
CID 103261025
3-[(2,2,2-trifluoroethylamino)methyl]-1-benzofuran-2-carboxylic acid
CID 103235292
3-[(2-oxoazepan-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 28943253
3-[[(1-ethylcyclobutyl)amino]methyl]-1-benzofuran-2-carboxylic acid
CID 103264746
N-[(2-butyl-1-benzofuran-3-yl)methyl]piperidin-1-amine
CID 83009139
3-(propylaminomethyl)-1-benzofuran-2-carboxylic acid
CID 103235081
3-[(2-methylbut-3-yn-2-ylamino)methyl]-1-benzofuran-2-carboxylic acid
CID 103252039
3-[(thiophen-2-ylmethylamino)methyl]-1-benzofuran-2-carboxylic acid
CID 103237368
3-[(dicyclopropylmethylamino)methyl]-1-benzofuran-2-carboxylic acid
CID 103247350
3-[(oxan-4-ylamino)methyl]-1-benzofuran-2-carboxylic acid
CID 103239302
3-[(2-iodoanilino)methyl]-1-benzofuran-2-carboxylic acid
CID 103236953
3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1-benzofuran-2-carboxylic acid
CID 103256685

Frequently Asked Questions

What is the IUPAC name of 3-[(piperidin-1-ylamino)methyl]-1-benzofuran-2-carboxylic acid?
The IUPAC name of 3-[(piperidin-1-ylamino)methyl]-1-benzofuran-2-carboxylic acid (CID 103261159) is 3-[(piperidin-1-ylamino)methyl]-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 3-[(piperidin-1-ylamino)methyl]-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 3-[(piperidin-1-ylamino)methyl]-1-benzofuran-2-carboxylic acid is O=C(O)c1oc2ccccc2c1CNN1CCCCC1.
What is the InChIKey of 3-[(piperidin-1-ylamino)methyl]-1-benzofuran-2-carboxylic acid?
The InChIKey is FQKQHAWMZGUWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-15(19)14-12(10-16-17-8-4-1-5-9-17)11-6-2-3-7-13(11)20-14/h2-3,6-7,16H,1,4-5,8-10H2,(H,18,19).
What are the key properties of 3-[(piperidin-1-ylamino)methyl]-1-benzofuran-2-carboxylic acid?
3-[(piperidin-1-ylamino)methyl]-1-benzofuran-2-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(piperidin-1-ylamino)methyl]-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 103261159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).