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

C12H19N3O2S — CID 102968725

IUPAC3-[(3-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide
SMILESCOC1CCCN(Cc2ccsc2C(=O)NN)C1
InChIInChI=1S/C12H19N3O2S/c1-17-10-3-2-5-15(8-10)7-9-4-6-18-11(9)12(16)14-13/h4,6,10H,2-3,5,7-8,13H2,1H3,(H,14,16)
InChIKeyCONPSHBSDJHZRE-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.96
Rot. Bonds4

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

3-[(3-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide (PubChem CID 102968725) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-[(3-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-[(3-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide
PubChem CID102968725
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name3-[(3-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide
SMILESCOC1CCCN(Cc2ccsc2C(=O)NN)C1
InChIInChI=1S/C12H19N3O2S/c1-17-10-3-2-5-15(8-10)7-9-4-6-18-11(9)12(16)14-13/h4,6,10H,2-3,5,7-8,13H2,1H3,(H,14,16)
InChIKeyCONPSHBSDJHZRE-UHFFFAOYSA-N
XLogP0.96
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.96
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-[(4-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 63639861
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)thiophene-2-carbohydrazide
CID 113336319
3-[(3,4-dihydroxypyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 106674279
N-[[1-[[2-(hydrazinecarbonyl)thiophen-3-yl]methyl]piperidin-4-yl]methyl]acetamide
CID 102737029
3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 107395848
3-[(4-ethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide
CID 63641063
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide
CID 63640027
2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]acetic acid
CID 102959653
1-[(2-fluorophenyl)methyl]-3-methoxypiperidine
CID 136523280
3-[(2,6-dioxopiperidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 55246482
4-[(3-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-carboxylic acid
CID 102959563
4-(3-methoxypiperidin-1-yl)butanehydrazide
CID 102968724

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 3-[(3-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide (CID 102968725) is 3-[(3-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 3-[(3-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 3-[(3-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide is COC1CCCN(Cc2ccsc2C(=O)NN)C1.
What is the InChIKey of 3-[(3-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide?
The InChIKey is CONPSHBSDJHZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-17-10-3-2-5-15(8-10)7-9-4-6-18-11(9)12(16)14-13/h4,6,10H,2-3,5,7-8,13H2,1H3,(H,14,16).
What are the key properties of 3-[(3-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide?
3-[(3-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide has a molecular weight of 269.37 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 102968725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).