N-(3-chlorothiophene-2-carbonyl)piperidine-1-carbohydrazide

C11H14ClN3O2S — CID 69104970

IUPACN-(3-chlorothiophene-2-carbonyl)piperidine-1-carbohydrazide
SMILESNN(C(=O)c1sccc1Cl)C(=O)N1CCCCC1
InChIInChI=1S/C11H14ClN3O2S/c12-8-4-7-18-9(8)10(16)15(13)11(17)14-5-2-1-3-6-14/h4,7H,1-3,5-6,13H2
InChIKeyMCYOPAANSMYNHH-UHFFFAOYSA-N
MW287.77 g/mol
LogP2.32
Rot. Bonds1

About N-(3-chlorothiophene-2-carbonyl)piperidine-1-carbohydrazide

N-(3-chlorothiophene-2-carbonyl)piperidine-1-carbohydrazide (PubChem CID 69104970) has the molecular formula C11H14ClN3O2S and a molecular weight of 287.77 g/mol. Its IUPAC name is N-(3-chlorothiophene-2-carbonyl)piperidine-1-carbohydrazide.

Molecular Properties

Compound NameN-(3-chlorothiophene-2-carbonyl)piperidine-1-carbohydrazide
PubChem CID69104970
Molecular FormulaC11H14ClN3O2S
Molecular Weight287.77 g/mol
Exact Mass287.05
IUPAC NameN-(3-chlorothiophene-2-carbonyl)piperidine-1-carbohydrazide
SMILESNN(C(=O)c1sccc1Cl)C(=O)N1CCCCC1
InChIInChI=1S/C11H14ClN3O2S/c12-8-4-7-18-9(8)10(16)15(13)11(17)14-5-2-1-3-6-14/h4,7H,1-3,5-6,13H2
InChIKeyMCYOPAANSMYNHH-UHFFFAOYSA-N
XLogP2.32
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 52.32
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorothiophene-2-carbonyl)piperidine-1-carbohydrazide?
The IUPAC name of N-(3-chlorothiophene-2-carbonyl)piperidine-1-carbohydrazide (CID 69104970) is N-(3-chlorothiophene-2-carbonyl)piperidine-1-carbohydrazide.
What is the SMILES notation for N-(3-chlorothiophene-2-carbonyl)piperidine-1-carbohydrazide?
The canonical SMILES for N-(3-chlorothiophene-2-carbonyl)piperidine-1-carbohydrazide is NN(C(=O)c1sccc1Cl)C(=O)N1CCCCC1.
What is the InChIKey of N-(3-chlorothiophene-2-carbonyl)piperidine-1-carbohydrazide?
The InChIKey is MCYOPAANSMYNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2S/c12-8-4-7-18-9(8)10(16)15(13)11(17)14-5-2-1-3-6-14/h4,7H,1-3,5-6,13H2.
What are the key properties of N-(3-chlorothiophene-2-carbonyl)piperidine-1-carbohydrazide?
N-(3-chlorothiophene-2-carbonyl)piperidine-1-carbohydrazide has a molecular weight of 287.77 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorothiophene-2-carbonyl)piperidine-1-carbohydrazide is sourced from PubChem (CID 69104970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).