4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide

C14H23N3O2S — CID 102968696

IUPAC4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
SMILESCOC1CN(Cc2cc(C(=O)NN)sc2C)CCC1C
InChIInChI=1S/C14H23N3O2S/c1-9-4-5-17(8-12(9)19-3)7-11-6-13(14(18)16-15)20-10(11)2/h6,9,12H,4-5,7-8,15H2,1-3H3,(H,16,18)
InChIKeyQVUULFKWYGGXEU-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.52
Rot. Bonds4

About 4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide

4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide (PubChem CID 102968696) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
PubChem CID102968696
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
SMILESCOC1CN(Cc2cc(C(=O)NN)sc2C)CCC1C
InChIInChI=1S/C14H23N3O2S/c1-9-4-5-17(8-12(9)19-3)7-11-6-13(14(18)16-15)20-10(11)2/h6,9,12H,4-5,7-8,15H2,1-3H3,(H,16,18)
InChIKeyQVUULFKWYGGXEU-UHFFFAOYSA-N
XLogP1.52
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.52
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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Related Compounds

4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-5-methylthiophene-2-carbohydrazide
CID 80734400
5-methyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide
CID 114540697
5-methyl-4-(piperidin-1-ylmethyl)thiophene-2-carbohydrazide
CID 80733368
5-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide
CID 80733651
4-[(2,6-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80733713
5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 102968693
methyl 2-[2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenyl]acetate
CID 102676457
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80733660
4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80734097
4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-5-methylthiophene-2-carbohydrazide
CID 80721705
5-methyl-4-[(2-oxoazocan-1-yl)methyl]thiophene-2-carbohydrazide
CID 80734427
5-methyl-4-[(2-methyl-3-oxopiperazin-1-yl)methyl]thiophene-2-carbohydrazide
CID 80733807

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide?
The IUPAC name of 4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide (CID 102968696) is 4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide.
What is the SMILES notation for 4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide?
The canonical SMILES for 4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide is COC1CN(Cc2cc(C(=O)NN)sc2C)CCC1C.
What is the InChIKey of 4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide?
The InChIKey is QVUULFKWYGGXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-9-4-5-17(8-12(9)19-3)7-11-6-13(14(18)16-15)20-10(11)2/h6,9,12H,4-5,7-8,15H2,1-3H3,(H,16,18).
What are the key properties of 4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide?
4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide has a molecular weight of 297.42 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 102968696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).