2-(piperidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide

C15H19N3O2 — CID 63569906

IUPAC2-(piperidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide
SMILESNNC(=O)c1c(CN2CCCCC2)oc2ccccc12
InChIInChI=1S/C15H19N3O2/c16-17-15(19)14-11-6-2-3-7-12(11)20-13(14)10-18-8-4-1-5-9-18/h2-3,6-7H,1,4-5,8-10,16H2,(H,17,19)
InChIKeyUIBPBISOEYHMLL-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.02
Rot. Bonds3

About 2-(piperidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide

2-(piperidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide (PubChem CID 63569906) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(piperidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide.

Molecular Properties

Compound Name2-(piperidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide
PubChem CID63569906
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(piperidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide
SMILESNNC(=O)c1c(CN2CCCCC2)oc2ccccc12
InChIInChI=1S/C15H19N3O2/c16-17-15(19)14-11-6-2-3-7-12(11)20-13(14)10-18-8-4-1-5-9-18/h2-3,6-7H,1,4-5,8-10,16H2,(H,17,19)
InChIKeyUIBPBISOEYHMLL-UHFFFAOYSA-N
XLogP2.02
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(3-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide
CID 63585728
2-[(3-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide
CID 63573029
2-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide
CID 63570845
2-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide
CID 103540522
2-(cyclobutyloxymethyl)-1-benzofuran-3-carbohydrazide
CID 63569299
2-[(2-cyanopyrrol-1-yl)methyl]-1-benzofuran-3-carbohydrazide
CID 114655488
2-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylic acid
CID 62273770
1-(2-ethyl-1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;hydrochloride
CID 6603145
2-[(4-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carboxylic acid
CID 62273423
2-(ethoxymethyl)-1-benzofuran-3-carbohydrazide
CID 55213785
2-(propan-2-ylsulfanylmethyl)-1-benzofuran-3-carbohydrazide
CID 55214865

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide?
The IUPAC name of 2-(piperidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide (CID 63569906) is 2-(piperidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide.
What is the SMILES notation for 2-(piperidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide?
The canonical SMILES for 2-(piperidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide is NNC(=O)c1c(CN2CCCCC2)oc2ccccc12.
What is the InChIKey of 2-(piperidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide?
The InChIKey is UIBPBISOEYHMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-17-15(19)14-11-6-2-3-7-12(11)20-13(14)10-18-8-4-1-5-9-18/h2-3,6-7H,1,4-5,8-10,16H2,(H,17,19).
What are the key properties of 2-(piperidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide?
2-(piperidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide has a molecular weight of 273.34 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide is sourced from PubChem (CID 63569906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).