N-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethanehydrazonoyl chloride

C13H15Cl2N3O — CID 76545643

IUPACN-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethanehydrazonoyl chloride
SMILESO=C(C(Cl)=NNc1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C13H15Cl2N3O/c14-10-4-6-11(7-5-10)16-17-12(15)13(19)18-8-2-1-3-9-18/h4-7,16H,1-3,8-9H2
InChIKeyWSHUILYQFZIBLN-UHFFFAOYSA-N
MW300.19 g/mol
LogP3.32
Rot. Bonds3

About N-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethanehydrazonoyl chloride

N-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethanehydrazonoyl chloride (PubChem CID 76545643) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethanehydrazonoyl chloride.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethanehydrazonoyl chloride
PubChem CID76545643
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC NameN-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethanehydrazonoyl chloride
SMILESO=C(C(Cl)=NNc1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C13H15Cl2N3O/c14-10-4-6-11(7-5-10)16-17-12(15)13(19)18-8-2-1-3-9-18/h4-7,16H,1-3,8-9H2
InChIKeyWSHUILYQFZIBLN-UHFFFAOYSA-N
XLogP3.32
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

(1E)-N-(4-chloroanilino)-2-oxo-2-pyrrolidin-1-ylethanimidoyl cyanide
CID 177461949
(2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide
CID 6389425
(1Z)-2-(4-chloroanilino)-N-(4-chlorophenyl)-2-oxoethanehydrazonoyl chloride
CID 15626985
N-[(E)-(4-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 5333289
propan-2-yl (2Z)-2-chloro-2-[(4-chlorophenyl)hydrazinylidene]acetate
CID 76845780
4-chloro-N-[(Z)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline
CID 15310085
4-chloro-N-(4-chlorophenyl)-3,3-dimethyl-2-oxobutanehydrazonoyl chloride
CID 140538752
N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide
CID 108987923
N-(4-chlorophenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942039
N-(4-chlorophenyl)ethanehydrazonoyl chloride
CID 86039764
3-[(4-chlorophenyl)hydrazinylidene]butan-2-one
CID 4562553
1-[(4-bromophenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one
CID 830626

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethanehydrazonoyl chloride?
The IUPAC name of N-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethanehydrazonoyl chloride (CID 76545643) is N-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethanehydrazonoyl chloride.
What is the SMILES notation for N-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethanehydrazonoyl chloride?
The canonical SMILES for N-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethanehydrazonoyl chloride is O=C(C(Cl)=NNc1ccc(Cl)cc1)N1CCCCC1.
What is the InChIKey of N-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethanehydrazonoyl chloride?
The InChIKey is WSHUILYQFZIBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O/c14-10-4-6-11(7-5-10)16-17-12(15)13(19)18-8-2-1-3-9-18/h4-7,16H,1-3,8-9H2.
What are the key properties of N-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethanehydrazonoyl chloride?
N-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethanehydrazonoyl chloride has a molecular weight of 300.19 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethanehydrazonoyl chloride is sourced from PubChem (CID 76545643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).