1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidine-4-carbohydrazide

C13H25N3O2S — CID 107760970

IUPAC1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidine-4-carbohydrazide
SMILESCC(C)C(C)SCC(=O)N1CCC(C(=O)NN)CC1
InChIInChI=1S/C13H25N3O2S/c1-9(2)10(3)19-8-12(17)16-6-4-11(5-7-16)13(18)15-14/h9-11H,4-8,14H2,1-3H3,(H,15,18)
InChIKeyWHHOXOALQYCRHU-UHFFFAOYSA-N
MW287.43 g/mol
LogP0.99
Rot. Bonds5

About 1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidine-4-carbohydrazide

1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidine-4-carbohydrazide (PubChem CID 107760970) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidine-4-carbohydrazide
PubChem CID107760970
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidine-4-carbohydrazide
SMILESCC(C)C(C)SCC(=O)N1CCC(C(=O)NN)CC1
InChIInChI=1S/C13H25N3O2S/c1-9(2)10(3)19-8-12(17)16-6-4-11(5-7-16)13(18)15-14/h9-11H,4-8,14H2,1-3H3,(H,15,18)
InChIKeyWHHOXOALQYCRHU-UHFFFAOYSA-N
XLogP0.99
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 50.99
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

1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3-methylbutan-2-ylsulfanyl)ethanone
CID 71995425
1-[2-(2-aminobutylsulfanyl)acetyl]piperidine-4-carbohydrazide
CID 66231444
1-[2-[ethyl(propan-2-yl)amino]acetyl]piperidine-4-carbohydrazide
CID 63574205
1-[2-(2-methylfuran-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide
CID 107782874
1-[2-(3-aminopropylsulfanyl)acetyl]piperidine-4-carbohydrazide
CID 66218506
1-(2-butoxyacetyl)piperidine-4-carbohydrazide
CID 63570869
methyl 1-[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]piperidine-4-carboxylate
CID 103705549
1-[2-(3-hydroxypropylsulfanyl)acetyl]piperidine-4-carbohydrazide
CID 66128765
1-(2-ethoxyacetyl)piperidine-4-carbohydrazide
CID 63587204
1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carbohydrazide
CID 63581145
1-(2,2,3-trimethylbutanoyl)piperidine-4-carbohydrazide
CID 69473843
1-[2-(5-methylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carbohydrazide
CID 63590293

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidine-4-carbohydrazide (CID 107760970) is 1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidine-4-carbohydrazide is CC(C)C(C)SCC(=O)N1CCC(C(=O)NN)CC1.
What is the InChIKey of 1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidine-4-carbohydrazide?
The InChIKey is WHHOXOALQYCRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-9(2)10(3)19-8-12(17)16-6-4-11(5-7-16)13(18)15-14/h9-11H,4-8,14H2,1-3H3,(H,15,18).
What are the key properties of 1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidine-4-carbohydrazide?
1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidine-4-carbohydrazide has a molecular weight of 287.43 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 107760970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).