2-[(3-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide

C15H19N3O3 — CID 63585728

IUPAC2-[(3-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide
SMILESNNC(=O)c1c(CN2CCCC(O)C2)oc2ccccc12
InChIInChI=1S/C15H19N3O3/c16-17-15(20)14-11-5-1-2-6-12(11)21-13(14)9-18-7-3-4-10(19)8-18/h1-2,5-6,10,19H,3-4,7-9,16H2,(H,17,20)
InChIKeyHBORISXJKFFEBI-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.99
Rot. Bonds3

About 2-[(3-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide

2-[(3-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide (PubChem CID 63585728) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[(3-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide.

Molecular Properties

Compound Name2-[(3-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide
PubChem CID63585728
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-[(3-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide
SMILESNNC(=O)c1c(CN2CCCC(O)C2)oc2ccccc12
InChIInChI=1S/C15H19N3O3/c16-17-15(20)14-11-5-1-2-6-12(11)21-13(14)9-18-7-3-4-10(19)8-18/h1-2,5-6,10,19H,3-4,7-9,16H2,(H,17,20)
InChIKeyHBORISXJKFFEBI-UHFFFAOYSA-N
XLogP0.99
TPSA91.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide
CID 55212248
2-(piperidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide
CID 63569906
2-[(3-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide
CID 63573029
2-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide
CID 103540522
2-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide
CID 63570845
2-[(4-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carboxylic acid
CID 62273423
2-[(3-methoxypiperidin-1-yl)methyl]-1-benzofuran-3-carboxylic acid
CID 102959581
ethyl 2-[(3-acetamidopiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate
CID 51100491
2-(cyclobutyloxymethyl)-1-benzofuran-3-carbohydrazide
CID 63569299
2-[(2-cyanopyrrol-1-yl)methyl]-1-benzofuran-3-carbohydrazide
CID 114655488
2-[[cyclopropylmethyl(ethyl)amino]methyl]-1-benzofuran-3-carbohydrazide
CID 63938947
2-(oxolan-2-ylmethoxymethyl)-1-benzofuran-3-carbohydrazide
CID 63575257

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide?
The IUPAC name of 2-[(3-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide (CID 63585728) is 2-[(3-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide.
What is the SMILES notation for 2-[(3-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide?
The canonical SMILES for 2-[(3-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide is NNC(=O)c1c(CN2CCCC(O)C2)oc2ccccc12.
What is the InChIKey of 2-[(3-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide?
The InChIKey is HBORISXJKFFEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c16-17-15(20)14-11-5-1-2-6-12(11)21-13(14)9-18-7-3-4-10(19)8-18/h1-2,5-6,10,19H,3-4,7-9,16H2,(H,17,20).
What are the key properties of 2-[(3-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide?
2-[(3-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide has a molecular weight of 289.33 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide is sourced from PubChem (CID 63585728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).