1-[(3,4-dichlorophenyl)methyl]-N'-(thiophene-2-carbonyl)piperidine-4-carbohydrazide

C18H19Cl2N3O2S — CID 1485117

IUPAC1-[(3,4-dichlorophenyl)methyl]-N'-(thiophene-2-carbonyl)piperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1cccs1
InChIInChI=1S/C18H19Cl2N3O2S/c19-14-4-3-12(10-15(14)20)11-23-7-5-13(6-8-23)17(24)21-22-18(25)16-2-1-9-26-16/h1-4,9-10,13H,5-8,11H2,(H,21,24)(H,22,25)
InChIKeyNOAGMHASBSNGEH-UHFFFAOYSA-N
MW412.34 g/mol
LogP3.73
Rot. Bonds4

About 1-[(3,4-dichlorophenyl)methyl]-N'-(thiophene-2-carbonyl)piperidine-4-carbohydrazide

1-[(3,4-dichlorophenyl)methyl]-N'-(thiophene-2-carbonyl)piperidine-4-carbohydrazide (PubChem CID 1485117) has the molecular formula C18H19Cl2N3O2S and a molecular weight of 412.34 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-N'-(thiophene-2-carbonyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-N'-(thiophene-2-carbonyl)piperidine-4-carbohydrazide
PubChem CID1485117
Molecular FormulaC18H19Cl2N3O2S
Molecular Weight412.34 g/mol
Exact Mass411.06
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-N'-(thiophene-2-carbonyl)piperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1cccs1
InChIInChI=1S/C18H19Cl2N3O2S/c19-14-4-3-12(10-15(14)20)11-23-7-5-13(6-8-23)17(24)21-22-18(25)16-2-1-9-26-16/h1-4,9-10,13H,5-8,11H2,(H,21,24)(H,22,25)
InChIKeyNOAGMHASBSNGEH-UHFFFAOYSA-N
XLogP3.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.34
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N'-(thiophene-2-carbonyl)piperidine-4-carbohydrazide?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N'-(thiophene-2-carbonyl)piperidine-4-carbohydrazide (CID 1485117) is 1-[(3,4-dichlorophenyl)methyl]-N'-(thiophene-2-carbonyl)piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-N'-(thiophene-2-carbonyl)piperidine-4-carbohydrazide?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-N'-(thiophene-2-carbonyl)piperidine-4-carbohydrazide is O=C(NNC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1cccs1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-N'-(thiophene-2-carbonyl)piperidine-4-carbohydrazide?
The InChIKey is NOAGMHASBSNGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2S/c19-14-4-3-12(10-15(14)20)11-23-7-5-13(6-8-23)17(24)21-22-18(25)16-2-1-9-26-16/h1-4,9-10,13H,5-8,11H2,(H,21,24)(H,22,25).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-N'-(thiophene-2-carbonyl)piperidine-4-carbohydrazide?
1-[(3,4-dichlorophenyl)methyl]-N'-(thiophene-2-carbonyl)piperidine-4-carbohydrazide has a molecular weight of 412.34 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-N'-(thiophene-2-carbonyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 1485117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).