5-methyl-4-(piperidin-1-ylmethyl)thiophene-2-carbohydrazide

C12H19N3OS — CID 80733368

IUPAC5-methyl-4-(piperidin-1-ylmethyl)thiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1CN1CCCCC1
InChIInChI=1S/C12H19N3OS/c1-9-10(7-11(17-9)12(16)14-13)8-15-5-3-2-4-6-15/h7H,2-6,8,13H2,1H3,(H,14,16)
InChIKeyQUPDAPNDBXCCQA-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.65
Rot. Bonds3

About 5-methyl-4-(piperidin-1-ylmethyl)thiophene-2-carbohydrazide

5-methyl-4-(piperidin-1-ylmethyl)thiophene-2-carbohydrazide (PubChem CID 80733368) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 5-methyl-4-(piperidin-1-ylmethyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-methyl-4-(piperidin-1-ylmethyl)thiophene-2-carbohydrazide
PubChem CID80733368
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name5-methyl-4-(piperidin-1-ylmethyl)thiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1CN1CCCCC1
InChIInChI=1S/C12H19N3OS/c1-9-10(7-11(17-9)12(16)14-13)8-15-5-3-2-4-6-15/h7H,2-6,8,13H2,1H3,(H,14,16)
InChIKeyQUPDAPNDBXCCQA-UHFFFAOYSA-N
XLogP1.65
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.65
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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(piperidin-1-ylmethyl)thiophene-2-carbohydrazide?
The IUPAC name of 5-methyl-4-(piperidin-1-ylmethyl)thiophene-2-carbohydrazide (CID 80733368) is 5-methyl-4-(piperidin-1-ylmethyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 5-methyl-4-(piperidin-1-ylmethyl)thiophene-2-carbohydrazide?
The canonical SMILES for 5-methyl-4-(piperidin-1-ylmethyl)thiophene-2-carbohydrazide is Cc1sc(C(=O)NN)cc1CN1CCCCC1.
What is the InChIKey of 5-methyl-4-(piperidin-1-ylmethyl)thiophene-2-carbohydrazide?
The InChIKey is QUPDAPNDBXCCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-9-10(7-11(17-9)12(16)14-13)8-15-5-3-2-4-6-15/h7H,2-6,8,13H2,1H3,(H,14,16).
What are the key properties of 5-methyl-4-(piperidin-1-ylmethyl)thiophene-2-carbohydrazide?
5-methyl-4-(piperidin-1-ylmethyl)thiophene-2-carbohydrazide has a molecular weight of 253.37 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(piperidin-1-ylmethyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 80733368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).