5-[(2,6-dimethylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide

C13H21N3OS — CID 55214398

IUPAC5-[(2,6-dimethylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide
SMILESCC1CCCC(C)N1Cc1ccc(C(=O)NN)s1
InChIInChI=1S/C13H21N3OS/c1-9-4-3-5-10(2)16(9)8-11-6-7-12(18-11)13(17)15-14/h6-7,9-10H,3-5,8,14H2,1-2H3,(H,15,17)
InChIKeyPTHWFMOXSPPJQJ-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.11
Rot. Bonds3

About 5-[(2,6-dimethylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide

5-[(2,6-dimethylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide (PubChem CID 55214398) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 5-[(2,6-dimethylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[(2,6-dimethylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide
PubChem CID55214398
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name5-[(2,6-dimethylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide
SMILESCC1CCCC(C)N1Cc1ccc(C(=O)NN)s1
InChIInChI=1S/C13H21N3OS/c1-9-4-3-5-10(2)16(9)8-11-6-7-12(18-11)13(17)15-14/h6-7,9-10H,3-5,8,14H2,1-2H3,(H,15,17)
InChIKeyPTHWFMOXSPPJQJ-UHFFFAOYSA-N
XLogP2.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)thiophene-2-carbohydrazide
CID 113336320
4-[(2,6-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80733713
methyl 5-[[(2S,6S)-2-(hydroxymethyl)-6-methylpiperidin-1-yl]methyl]thiophene-2-carboxylate
CID 97343816
5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]thiophene-2-carbohydrazide
CID 63582953
5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide
CID 55214588
5-[[cyclopropyl(methyl)amino]methyl]thiophene-2-carbohydrazide
CID 63573825
2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]acetohydrazide
CID 105352123
5-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thiophene-2-carbohydrazide
CID 64828866
5-[(4-tert-butylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide
CID 63577667
5-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 103358731
5-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide
CID 80582932
5-(oxolan-2-ylmethoxymethyl)thiophene-2-carbohydrazide
CID 63574396

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[(2,6-dimethylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide (CID 55214398) is 5-[(2,6-dimethylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[(2,6-dimethylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[(2,6-dimethylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide is CC1CCCC(C)N1Cc1ccc(C(=O)NN)s1.
What is the InChIKey of 5-[(2,6-dimethylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide?
The InChIKey is PTHWFMOXSPPJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-9-4-3-5-10(2)16(9)8-11-6-7-12(18-11)13(17)15-14/h6-7,9-10H,3-5,8,14H2,1-2H3,(H,15,17).
What are the key properties of 5-[(2,6-dimethylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide?
5-[(2,6-dimethylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide has a molecular weight of 267.40 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 55214398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).