N-[(E)-(3-chlorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide

C15H21ClN4O — CID 5331774

IUPACN-[(E)-(3-chlorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)N/N=C/c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H21ClN4O/c1-2-19-6-8-20(9-7-19)12-15(21)18-17-11-13-4-3-5-14(16)10-13/h3-5,10-11H,2,6-9,12H2,1H3,(H,18,21)/b17-11+
InChIKeyIMVRGQPGCBYHMH-GZTJUZNOSA-N
MW308.81 g/mol
LogP1.43
Rot. Bonds5

About N-[(E)-(3-chlorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide

N-[(E)-(3-chlorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide (PubChem CID 5331774) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is N-[(E)-(3-chlorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(3-chlorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide
PubChem CID5331774
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC NameN-[(E)-(3-chlorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)N/N=C/c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H21ClN4O/c1-2-19-6-8-20(9-7-19)12-15(21)18-17-11-13-4-3-5-14(16)10-13/h3-5,10-11H,2,6-9,12H2,1H3,(H,18,21)/b17-11+
InChIKeyIMVRGQPGCBYHMH-GZTJUZNOSA-N
XLogP1.43
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.43
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

2-(1-azepanyl)-N'-(3-chlorobenzylidene)acetohydrazide
CID 5331587
N'-(3-chlorobenzylidene)-2-(4-thiomorpholinyl)acetohydrazide
CID 9585532
N'-(3,4-difluorobenzylidene)-2-(4-methyl-1-piperazinyl)acetohydrazide
CID 6894489
2-(1-azepanyl)-N'-(2,3-dichlorobenzylidene)acetohydrazide
CID 6894540
N'-(2,4-difluorobenzylidene)-2-(4-ethyl-1-piperazinyl)acetohydrazide
CID 6894556
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
1-Piperidineacetic acid, alpha-oxo-, ((2-chlorophenyl)methylene)hydrazide, (E)-
CID 5333302
N-[(E)-(3-chlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 6899852
2-(1-azepanyl)-N'-(3,4-dichlorobenzylidene)acetohydrazide
CID 5338350

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-chlorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(E)-(3-chlorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide (CID 5331774) is N-[(E)-(3-chlorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(E)-(3-chlorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(E)-(3-chlorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide is CCN1CCN(CC(=O)N/N=C/c2cccc(Cl)c2)CC1.
What is the InChIKey of N-[(E)-(3-chlorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide?
The InChIKey is IMVRGQPGCBYHMH-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H21ClN4O/c1-2-19-6-8-20(9-7-19)12-15(21)18-17-11-13-4-3-5-14(16)10-13/h3-5,10-11H,2,6-9,12H2,1H3,(H,18,21)/b17-11+.
What are the key properties of N-[(E)-(3-chlorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide?
N-[(E)-(3-chlorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide has a molecular weight of 308.81 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-chlorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide is sourced from PubChem (CID 5331774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).