N-[(E)-(2-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide

C14H16ClN3O2 — CID 5333302

IUPACN-[(E)-(2-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
SMILESO=C(N/N=C/c1ccccc1Cl)C(=O)N1CCCCC1
InChIInChI=1S/C14H16ClN3O2/c15-12-7-3-2-6-11(12)10-16-17-13(19)14(20)18-8-4-1-5-9-18/h2-3,6-7,10H,1,4-5,8-9H2,(H,17,19)/b16-10+
InChIKeyHJSHDAZYJCIYRX-MHWRWJLKSA-N
MW293.75 g/mol
LogP1.80
Rot. Bonds2

About N-[(E)-(2-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide

N-[(E)-(2-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide (PubChem CID 5333302) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is N-[(E)-(2-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(E)-(2-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
PubChem CID5333302
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC NameN-[(E)-(2-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
SMILESO=C(N/N=C/c1ccccc1Cl)C(=O)N1CCCCC1
InChIInChI=1S/C14H16ClN3O2/c15-12-7-3-2-6-11(12)10-16-17-13(19)14(20)18-8-4-1-5-9-18/h2-3,6-7,10H,1,4-5,8-9H2,(H,17,19)/b16-10+
InChIKeyHJSHDAZYJCIYRX-MHWRWJLKSA-N
XLogP1.80
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(2-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(E)-(2-chlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
CID 6889750
2-(1-azepanyl)-N'-(2-chloro-6-fluorobenzylidene)-2-oxoacetohydrazide
CID 6871267
2-(azepan-1-yl)-N-[(E)-(4-chlorophenyl)methylideneamino]-2-oxoacetamide
CID 9593484
N-cyclopropyl-2-[(2E)-2-(2,6-dichlorobenzylidene)hydrazino]-2-oxoacetamide
CID 9600047
2-(1-azepanyl)-N'-(3-chlorobenzylidene)acetohydrazide
CID 5331587
4-Chloro-5-[4-[(2-chlorophenyl)methyl]-3-oxo-1-piperazinyl]-3(2H)-pyridazinone
CID 138483744
2-(1-azepanyl)-N'-(2,3-dichlorobenzylidene)acetohydrazide
CID 6894540
Piperidin-1-yl-acetic acid (4-chloro-benzylidene)-hydrazide
CID 9556842
Piperidin-1-yl-acetic acid (3-chloro-benzylidene)-hydrazide
CID 9592871
N'-(2,4-dichlorobenzylidene)-2-(1-piperidinyl)acetohydrazide
CID 9592878
2-(4-benzyl-1-piperazinyl)-N'-[(E)-(2-chlorophenyl)methylidene]acetohydrazide
CID 6887128
2-(2-Chloro-benzylidene-hydrazinocarbonyl)-N-cyclohexyl-acetamide
CID 9563177

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide?
The IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide (CID 5333302) is N-[(E)-(2-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[(E)-(2-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[(E)-(2-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide is O=C(N/N=C/c1ccccc1Cl)C(=O)N1CCCCC1.
What is the InChIKey of N-[(E)-(2-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide?
The InChIKey is HJSHDAZYJCIYRX-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c15-12-7-3-2-6-11(12)10-16-17-13(19)14(20)18-8-4-1-5-9-18/h2-3,6-7,10H,1,4-5,8-9H2,(H,17,19)/b16-10+.
What are the key properties of N-[(E)-(2-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide?
N-[(E)-(2-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide has a molecular weight of 293.75 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide is sourced from PubChem (CID 5333302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).