5-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide

C14H24N4OS — CID 80733651

IUPAC5-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide
SMILESCNCC1CCCN(Cc2cc(C(=O)NN)sc2C)C1
InChIInChI=1S/C14H24N4OS/c1-10-12(6-13(20-10)14(19)17-15)9-18-5-3-4-11(8-18)7-16-2/h6,11,16H,3-5,7-9,15H2,1-2H3,(H,17,19)
InChIKeyNGQOUMLKMDUHRK-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.09
Rot. Bonds5

About 5-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide

5-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide (PubChem CID 80733651) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 5-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide
PubChem CID80733651
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name5-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide
SMILESCNCC1CCCN(Cc2cc(C(=O)NN)sc2C)C1
InChIInChI=1S/C14H24N4OS/c1-10-12(6-13(20-10)14(19)17-15)9-18-5-3-4-11(8-18)7-16-2/h6,11,16H,3-5,7-9,15H2,1-2H3,(H,17,19)
InChIKeyNGQOUMLKMDUHRK-UHFFFAOYSA-N
XLogP1.09
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.09
H-Bond Donors ≤ 53
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

4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-5-methylthiophene-2-carbohydrazide
CID 80734400
5-methyl-4-(piperidin-1-ylmethyl)thiophene-2-carbohydrazide
CID 80733368
2-[2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 115465497
4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 102968696
5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide
CID 63577918
5-methyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide
CID 114540697
3-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]benzamide
CID 114484796
4-[(2,6-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80733713
5-methyl-4-[(2-oxoazocan-1-yl)methyl]thiophene-2-carbohydrazide
CID 80734427
4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80734097
4-fluoro-3-[[3-(methylaminomethyl)piperidin-1-yl]methyl]benzoic acid
CID 107452216
1-[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 113499435

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide (CID 80733651) is 5-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide is CNCC1CCCN(Cc2cc(C(=O)NN)sc2C)C1.
What is the InChIKey of 5-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide?
The InChIKey is NGQOUMLKMDUHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-10-12(6-13(20-10)14(19)17-15)9-18-5-3-4-11(8-18)7-16-2/h6,11,16H,3-5,7-9,15H2,1-2H3,(H,17,19).
What are the key properties of 5-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide?
5-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide has a molecular weight of 296.44 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 80733651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).