2-(4-benzylpiperazin-1-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide

C20H22Cl2N4O — CID 6879650

IUPAC2-(4-benzylpiperazin-1-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N4O/c21-18-7-6-17(19(22)12-18)13-23-24-20(27)15-26-10-8-25(9-11-26)14-16-4-2-1-3-5-16/h1-7,12-13H,8-11,14-15H2,(H,24,27)/b23-13+
InChIKeyPPOVFYGIQDDSHW-YDZHTSKRSA-N
MW405.33 g/mol
LogP3.26
Rot. Bonds6

About 2-(4-benzylpiperazin-1-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide

2-(4-benzylpiperazin-1-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide (PubChem CID 6879650) has the molecular formula C20H22Cl2N4O and a molecular weight of 405.33 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide
PubChem CID6879650
Molecular FormulaC20H22Cl2N4O
Molecular Weight405.33 g/mol
Exact Mass404.12
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N4O/c21-18-7-6-17(19(22)12-18)13-23-24-20(27)15-26-10-8-25(9-11-26)14-16-4-2-1-3-5-16/h1-7,12-13H,8-11,14-15H2,(H,24,27)/b23-13+
InChIKeyPPOVFYGIQDDSHW-YDZHTSKRSA-N
XLogP3.26
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N'-Benzylidene-2-(4-benzyl-1-piperazinyl)acetohydrazide
CID 6885304
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(3-fluorophenyl)methylideneamino]acetamide
CID 6884979
2-[4-(2-chlorobenzyl)piperazin-1-yl]-N'-{(E)-[4-(methylsulfanyl)phenyl]methylidene}acetohydrazide
CID 6885853
2-[4-(4-chlorobenzyl)piperazin-1-yl]-N'-{(E)-[4-(methylsulfanyl)phenyl]methylidene}acetohydrazide
CID 6886144
Piperidin-1-yl-acetic acid (4-chloro-benzylidene)-hydrazide
CID 9556842
N'-(2,4-dichlorobenzylidene)-2-(1-piperidinyl)acetohydrazide
CID 9592878
2-[(2E)-2-(4-chlorobenzylidene)hydrazinyl]-2-oxo-N-(1-phenylethyl)acetamide
CID 9591882
2-(4-benzyl-1-piperazinyl)-N'-[(E)-(2-chlorophenyl)methylidene]acetohydrazide
CID 6887128
(4-Chloro-benzylidene)-(4-(2-chloro-benzyl)-piperazin-1-YL)-amine
CID 5342835
2-[4-(4-chlorobenzyl)piperazin-1-yl]-N'-[(E)-(2-fluorophenyl)methylidene]acetohydrazide
CID 6870065
N-Benzyl-2-(2,4-dichloro-benzylidene-hydrazinocarbonyl)-acetamide
CID 9591578
2-[4-(2-chlorobenzyl)-1-piperazinyl]-N'-[(E)-(4-chlorophenyl)methylidene]acetohydrazide
CID 5532266

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide (CID 6879650) is 2-(4-benzylpiperazin-1-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide is O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide?
The InChIKey is PPOVFYGIQDDSHW-YDZHTSKRSA-N. The full InChI is InChI=1S/C20H22Cl2N4O/c21-18-7-6-17(19(22)12-18)13-23-24-20(27)15-26-10-8-25(9-11-26)14-16-4-2-1-3-5-16/h1-7,12-13H,8-11,14-15H2,(H,24,27)/b23-13+.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide?
2-(4-benzylpiperazin-1-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide has a molecular weight of 405.33 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 6879650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).