4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-5-methylthiophene-2-carbohydrazide

C13H21N3O2S — CID 80734400

IUPAC4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-5-methylthiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1CN1CCCC(CO)C1
InChIInChI=1S/C13H21N3O2S/c1-9-11(5-12(19-9)13(18)15-14)7-16-4-2-3-10(6-16)8-17/h5,10,17H,2-4,6-8,14H2,1H3,(H,15,18)
InChIKeyHJMMCJXTCMLBIU-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.86
Rot. Bonds4

About 4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-5-methylthiophene-2-carbohydrazide

4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-5-methylthiophene-2-carbohydrazide (PubChem CID 80734400) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-5-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-5-methylthiophene-2-carbohydrazide
PubChem CID80734400
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-5-methylthiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1CN1CCCC(CO)C1
InChIInChI=1S/C13H21N3O2S/c1-9-11(5-12(19-9)13(18)15-14)7-16-4-2-3-10(6-16)8-17/h5,10,17H,2-4,6-8,14H2,1H3,(H,15,18)
InChIKeyHJMMCJXTCMLBIU-UHFFFAOYSA-N
XLogP0.86
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.86
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

5-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide
CID 80733651
5-methyl-4-(piperidin-1-ylmethyl)thiophene-2-carbohydrazide
CID 80733368
4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 102968696
5-methyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide
CID 114540697
4-[(2,6-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80733713
2-[2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 115465290
4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80734097
4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
CID 62273123
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80733660
4-(2-cyclobutylethoxymethyl)-5-methylthiophene-2-carbohydrazide
CID 106206575
5-methyl-4-[(2-oxoazocan-1-yl)methyl]thiophene-2-carbohydrazide
CID 80734427
[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-3-yl]methanol
CID 115879487

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-5-methylthiophene-2-carbohydrazide?
The IUPAC name of 4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-5-methylthiophene-2-carbohydrazide (CID 80734400) is 4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-5-methylthiophene-2-carbohydrazide.
What is the SMILES notation for 4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-5-methylthiophene-2-carbohydrazide?
The canonical SMILES for 4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-5-methylthiophene-2-carbohydrazide is Cc1sc(C(=O)NN)cc1CN1CCCC(CO)C1.
What is the InChIKey of 4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-5-methylthiophene-2-carbohydrazide?
The InChIKey is HJMMCJXTCMLBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-9-11(5-12(19-9)13(18)15-14)7-16-4-2-3-10(6-16)8-17/h5,10,17H,2-4,6-8,14H2,1H3,(H,15,18).
What are the key properties of 4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-5-methylthiophene-2-carbohydrazide?
4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-5-methylthiophene-2-carbohydrazide has a molecular weight of 283.40 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-5-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 80734400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).