3-[(4-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide

C12H19N3O2S — CID 63639861

IUPAC3-[(4-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide
SMILESCOC1CCN(Cc2ccsc2C(=O)NN)CC1
InChIInChI=1S/C12H19N3O2S/c1-17-10-2-5-15(6-3-10)8-9-4-7-18-11(9)12(16)14-13/h4,7,10H,2-3,5-6,8,13H2,1H3,(H,14,16)
InChIKeyFVQVNPKUDDFZNN-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.96
Rot. Bonds4

About 3-[(4-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide

3-[(4-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide (PubChem CID 63639861) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-[(4-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-[(4-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide
PubChem CID63639861
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name3-[(4-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide
SMILESCOC1CCN(Cc2ccsc2C(=O)NN)CC1
InChIInChI=1S/C12H19N3O2S/c1-17-10-2-5-15(6-3-10)8-9-4-7-18-11(9)12(16)14-13/h4,7,10H,2-3,5-6,8,13H2,1H3,(H,14,16)
InChIKeyFVQVNPKUDDFZNN-UHFFFAOYSA-N
XLogP0.96
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.96
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 3-[(4-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 3-[(4-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide (CID 63639861) is 3-[(4-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 3-[(4-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 3-[(4-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide is COC1CCN(Cc2ccsc2C(=O)NN)CC1.
What is the InChIKey of 3-[(4-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide?
The InChIKey is FVQVNPKUDDFZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-17-10-2-5-15(6-3-10)8-9-4-7-18-11(9)12(16)14-13/h4,7,10H,2-3,5-6,8,13H2,1H3,(H,14,16).
What are the key properties of 3-[(4-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide?
3-[(4-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide has a molecular weight of 269.37 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63639861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).