3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide

C13H21N3O2S — CID 107395848

IUPAC3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide
SMILESCOC1(C)CCCN(Cc2ccsc2C(=O)NN)C1
InChIInChI=1S/C13H21N3O2S/c1-13(18-2)5-3-6-16(9-13)8-10-4-7-19-11(10)12(17)15-14/h4,7H,3,5-6,8-9,14H2,1-2H3,(H,15,17)
InChIKeyISEYXVARUMEHCQ-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.35
Rot. Bonds4

About 3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide

3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide (PubChem CID 107395848) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide
PubChem CID107395848
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide
SMILESCOC1(C)CCCN(Cc2ccsc2C(=O)NN)C1
InChIInChI=1S/C13H21N3O2S/c1-13(18-2)5-3-6-16(9-13)8-10-4-7-19-11(10)12(17)15-14/h4,7H,3,5-6,8-9,14H2,1-2H3,(H,15,17)
InChIKeyISEYXVARUMEHCQ-UHFFFAOYSA-N
XLogP1.35
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.35
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

3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]thiophene-2-carboxylic acid
CID 107393456
3-[(3-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 102968725
3-[(4-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 63639861
3-[(4-ethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide
CID 63641063
6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]pyridine-2-carbohydrazide
CID 107395824
3-[(3,4-dihydroxypyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 106674279
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide
CID 63640027
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)thiophene-2-carbohydrazide
CID 113336319
N-[[1-[[2-(hydrazinecarbonyl)thiophen-3-yl]methyl]piperidin-4-yl]methyl]acetamide
CID 102737029
4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]benzoic acid
CID 107393386
(3-aminothiophen-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107390298
3-fluoro-4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline
CID 107390766

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide (CID 107395848) is 3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide is COC1(C)CCCN(Cc2ccsc2C(=O)NN)C1.
What is the InChIKey of 3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide?
The InChIKey is ISEYXVARUMEHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-13(18-2)5-3-6-16(9-13)8-10-4-7-19-11(10)12(17)15-14/h4,7H,3,5-6,8-9,14H2,1-2H3,(H,15,17).
What are the key properties of 3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide?
3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide has a molecular weight of 283.40 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 107395848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).