4-[(2,6-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide

C14H23N3OS — CID 80733713

IUPAC4-[(2,6-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1CN1C(C)CCCC1C
InChIInChI=1S/C14H23N3OS/c1-9-5-4-6-10(2)17(9)8-12-7-13(14(18)16-15)19-11(12)3/h7,9-10H,4-6,8,15H2,1-3H3,(H,16,18)
InChIKeyLLFQBHYDKMSXCH-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.42
Rot. Bonds3

About 4-[(2,6-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide

4-[(2,6-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide (PubChem CID 80733713) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 4-[(2,6-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name4-[(2,6-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
PubChem CID80733713
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name4-[(2,6-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1CN1C(C)CCCC1C
InChIInChI=1S/C14H23N3OS/c1-9-5-4-6-10(2)17(9)8-12-7-13(14(18)16-15)19-11(12)3/h7,9-10H,4-6,8,15H2,1-3H3,(H,16,18)
InChIKeyLLFQBHYDKMSXCH-UHFFFAOYSA-N
XLogP2.42
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.42
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 4-[(2,6-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide?
The IUPAC name of 4-[(2,6-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide (CID 80733713) is 4-[(2,6-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide.
What is the SMILES notation for 4-[(2,6-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide?
The canonical SMILES for 4-[(2,6-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide is Cc1sc(C(=O)NN)cc1CN1C(C)CCCC1C.
What is the InChIKey of 4-[(2,6-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide?
The InChIKey is LLFQBHYDKMSXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-9-5-4-6-10(2)17(9)8-12-7-13(14(18)16-15)19-11(12)3/h7,9-10H,4-6,8,15H2,1-3H3,(H,16,18).
What are the key properties of 4-[(2,6-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide?
4-[(2,6-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide has a molecular weight of 281.42 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 80733713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).