5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide

C14H23N3O3 — CID 63573018

IUPAC5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
SMILESCCOC1CCN(Cc2cc(C(=O)NN)c(C)o2)CC1
InChIInChI=1S/C14H23N3O3/c1-3-19-11-4-6-17(7-5-11)9-12-8-13(10(2)20-12)14(18)16-15/h8,11H,3-7,9,15H2,1-2H3,(H,16,18)
InChIKeyKLPQBWZFOGPHNI-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.19
Rot. Bonds5

About 5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide

5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide (PubChem CID 63573018) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound Name5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
PubChem CID63573018
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
SMILESCCOC1CCN(Cc2cc(C(=O)NN)c(C)o2)CC1
InChIInChI=1S/C14H23N3O3/c1-3-19-11-4-6-17(7-5-11)9-12-8-13(10(2)20-12)14(18)16-15/h8,11H,3-7,9,15H2,1-2H3,(H,16,18)
InChIKeyKLPQBWZFOGPHNI-UHFFFAOYSA-N
XLogP1.19
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
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

5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid
CID 61218614
2-methyl-5-[(4-methylazepan-1-yl)methyl]furan-3-carbohydrazide
CID 63625273
2-[1-[[4-(hydrazinecarbonyl)-5-methylfuran-2-yl]methyl]piperidin-4-yl]acetamide
CID 63579170
5-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63572070
2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide
CID 63569059
ethyl 1-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]piperidine-4-carboxylate
CID 78789920
2-methyl-5-[(4-methylcyclohexyl)oxymethyl]furan-3-carbohydrazide
CID 63575241
5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63574155
2-[(4-ethoxypiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63572841
5-(1,4-diazepan-1-ylmethyl)-2-methylfuran-3-carbohydrazide
CID 63577670
N-[[5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62427817
5-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 80582970

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
The IUPAC name of 5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide (CID 63573018) is 5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for 5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
The canonical SMILES for 5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide is CCOC1CCN(Cc2cc(C(=O)NN)c(C)o2)CC1.
What is the InChIKey of 5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
The InChIKey is KLPQBWZFOGPHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-3-19-11-4-6-17(7-5-11)9-12-8-13(10(2)20-12)14(18)16-15/h8,11H,3-7,9,15H2,1-2H3,(H,16,18).
What are the key properties of 5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide has a molecular weight of 281.36 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 63573018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).