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

C13H21N3O3 — CID 63572841

IUPAC2-[(4-ethoxypiperidin-1-yl)methyl]furan-3-carbohydrazide
SMILESCCOC1CCN(Cc2occc2C(=O)NN)CC1
InChIInChI=1S/C13H21N3O3/c1-2-18-10-3-6-16(7-4-10)9-12-11(5-8-19-12)13(17)15-14/h5,8,10H,2-4,6-7,9,14H2,1H3,(H,15,17)
InChIKeyPXSFVJMEGJIUBM-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.88
Rot. Bonds5

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

2-[(4-ethoxypiperidin-1-yl)methyl]furan-3-carbohydrazide (PubChem CID 63572841) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[(4-ethoxypiperidin-1-yl)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[(4-ethoxypiperidin-1-yl)methyl]furan-3-carbohydrazide
PubChem CID63572841
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[(4-ethoxypiperidin-1-yl)methyl]furan-3-carbohydrazide
SMILESCCOC1CCN(Cc2occc2C(=O)NN)CC1
InChIInChI=1S/C13H21N3O3/c1-2-18-10-3-6-16(7-4-10)9-12-11(5-8-19-12)13(17)15-14/h5,8,10H,2-4,6-7,9,14H2,1H3,(H,15,17)
InChIKeyPXSFVJMEGJIUBM-UHFFFAOYSA-N
XLogP0.88
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.88
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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxypiperidin-1-yl)methyl]furan-3-carbohydrazide?
The IUPAC name of 2-[(4-ethoxypiperidin-1-yl)methyl]furan-3-carbohydrazide (CID 63572841) is 2-[(4-ethoxypiperidin-1-yl)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[(4-ethoxypiperidin-1-yl)methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[(4-ethoxypiperidin-1-yl)methyl]furan-3-carbohydrazide is CCOC1CCN(Cc2occc2C(=O)NN)CC1.
What is the InChIKey of 2-[(4-ethoxypiperidin-1-yl)methyl]furan-3-carbohydrazide?
The InChIKey is PXSFVJMEGJIUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-2-18-10-3-6-16(7-4-10)9-12-11(5-8-19-12)13(17)15-14/h5,8,10H,2-4,6-7,9,14H2,1H3,(H,15,17).
What are the key properties of 2-[(4-ethoxypiperidin-1-yl)methyl]furan-3-carbohydrazide?
2-[(4-ethoxypiperidin-1-yl)methyl]furan-3-carbohydrazide has a molecular weight of 267.33 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxypiperidin-1-yl)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63572841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).