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

C16H21N3O2 — CID 63570845

IUPAC2-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide
SMILESCC1CCCCN1Cc1oc2ccccc2c1C(=O)NN
InChIInChI=1S/C16H21N3O2/c1-11-6-4-5-9-19(11)10-14-15(16(20)18-17)12-7-2-3-8-13(12)21-14/h2-3,7-8,11H,4-6,9-10,17H2,1H3,(H,18,20)
InChIKeyVEOLGHVCHJAIMT-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.41
Rot. Bonds3

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

2-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide (PubChem CID 63570845) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide.

Molecular Properties

Compound Name2-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide
PubChem CID63570845
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide
SMILESCC1CCCCN1Cc1oc2ccccc2c1C(=O)NN
InChIInChI=1S/C16H21N3O2/c1-11-6-4-5-9-19(11)10-14-15(16(20)18-17)12-7-2-3-8-13(12)21-14/h2-3,7-8,11H,4-6,9-10,17H2,1H3,(H,18,20)
InChIKeyVEOLGHVCHJAIMT-UHFFFAOYSA-N
XLogP2.41
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.41
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-(piperidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide
CID 63569906
2-[(3-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide
CID 63573029
2-[(3-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide
CID 63585728
2-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide
CID 103540522
2-(cyclobutyloxymethyl)-1-benzofuran-3-carbohydrazide
CID 63569299
ethyl 5-methoxy-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-1-benzofuran-3-carboxylate
CID 686798
2-[[cyclopropylmethyl(ethyl)amino]methyl]-1-benzofuran-3-carbohydrazide
CID 63938947
ethyl 2-[[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]methyl]-1-benzofuran-3-carboxylate
CID 100903672
ethyl 2-[[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]methyl]-1-benzofuran-3-carboxylate
CID 95052340
2-(ethoxymethyl)-1-benzofuran-3-carbohydrazide
CID 55213785
2-(propan-2-ylsulfanylmethyl)-1-benzofuran-3-carbohydrazide
CID 55214865
2-[(2-cyanopyrrol-1-yl)methyl]-1-benzofuran-3-carbohydrazide
CID 114655488

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide?
The IUPAC name of 2-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide (CID 63570845) is 2-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide.
What is the SMILES notation for 2-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide?
The canonical SMILES for 2-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide is CC1CCCCN1Cc1oc2ccccc2c1C(=O)NN.
What is the InChIKey of 2-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide?
The InChIKey is VEOLGHVCHJAIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-6-4-5-9-19(11)10-14-15(16(20)18-17)12-7-2-3-8-13(12)21-14/h2-3,7-8,11H,4-6,9-10,17H2,1H3,(H,18,20).
What are the key properties of 2-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide?
2-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide has a molecular weight of 287.36 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide is sourced from PubChem (CID 63570845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).