ethyl 4-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]piperidine-1-carboxylate

C17H22ClN3O4 — CID 9317266

IUPACethyl 4-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(=NNC(=O)COc2ccc(Cl)cc2C)CC1
InChIInChI=1S/C17H22ClN3O4/c1-3-24-17(23)21-8-6-14(7-9-21)19-20-16(22)11-25-15-5-4-13(18)10-12(15)2/h4-5,10H,3,6-9,11H2,1-2H3,(H,20,22)
InChIKeyJFZWIRUYQKZIMD-UHFFFAOYSA-N
MW367.83 g/mol
LogP2.75
Rot. Bonds5

About ethyl 4-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]piperidine-1-carboxylate

ethyl 4-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]piperidine-1-carboxylate (PubChem CID 9317266) has the molecular formula C17H22ClN3O4 and a molecular weight of 367.83 g/mol. Its IUPAC name is ethyl 4-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]piperidine-1-carboxylate
PubChem CID9317266
Molecular FormulaC17H22ClN3O4
Molecular Weight367.83 g/mol
Exact Mass367.13
IUPAC Nameethyl 4-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(=NNC(=O)COc2ccc(Cl)cc2C)CC1
InChIInChI=1S/C17H22ClN3O4/c1-3-24-17(23)21-8-6-14(7-9-21)19-20-16(22)11-25-15-5-4-13(18)10-12(15)2/h4-5,10H,3,6-9,11H2,1-2H3,(H,20,22)
InChIKeyJFZWIRUYQKZIMD-UHFFFAOYSA-N
XLogP2.75
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 ethyl 4-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]piperidine-1-carboxylate (CID 9317266) is ethyl 4-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]piperidine-1-carboxylate is CCOC(=O)N1CCC(=NNC(=O)COc2ccc(Cl)cc2C)CC1.
What is the InChIKey of ethyl 4-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]piperidine-1-carboxylate?
The InChIKey is JFZWIRUYQKZIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O4/c1-3-24-17(23)21-8-6-14(7-9-21)19-20-16(22)11-25-15-5-4-13(18)10-12(15)2/h4-5,10H,3,6-9,11H2,1-2H3,(H,20,22).
What are the key properties of ethyl 4-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]piperidine-1-carboxylate?
ethyl 4-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]piperidine-1-carboxylate has a molecular weight of 367.83 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]piperidine-1-carboxylate is sourced from PubChem (CID 9317266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).