N-(benzylideneamino)-2-(4-ethylpiperazin-1-yl)acetamide

C15H22N4O — CID 791586

IUPACN-(benzylideneamino)-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)NN=Cc2ccccc2)CC1
InChIInChI=1S/C15H22N4O/c1-2-18-8-10-19(11-9-18)13-15(20)17-16-12-14-6-4-3-5-7-14/h3-7,12H,2,8-11,13H2,1H3,(H,17,20)
InChIKeyPCOLKHMFOFFREA-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.77
Rot. Bonds5

About N-(benzylideneamino)-2-(4-ethylpiperazin-1-yl)acetamide

N-(benzylideneamino)-2-(4-ethylpiperazin-1-yl)acetamide (PubChem CID 791586) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(benzylideneamino)-2-(4-ethylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(benzylideneamino)-2-(4-ethylpiperazin-1-yl)acetamide
PubChem CID791586
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-(benzylideneamino)-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)NN=Cc2ccccc2)CC1
InChIInChI=1S/C15H22N4O/c1-2-18-8-10-19(11-9-18)13-15(20)17-16-12-14-6-4-3-5-7-14/h3-7,12H,2,8-11,13H2,1H3,(H,17,20)
InChIKeyPCOLKHMFOFFREA-UHFFFAOYSA-N
XLogP0.77
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.77
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-(4-ethylpiperazin-1-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
CID 5331709
N-[(Z)-(4-phenylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
CID 5406294
2-(4-benzylpiperazin-1-yl)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 3714192
N-[(4-methylphenyl)methylideneamino]-2-piperidin-1-ylacetamide
CID 682337
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide
CID 170856208
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(4-methylphenyl)methylideneamino]acetamide
CID 6885049
N-[(E)-benzylideneamino]butanamide
CID 6872028
2-(azocan-1-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
CID 6894538
N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(azocan-1-yl)acetamide
CID 5407176
2-(azepan-1-yl)-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 786204
2-(azepan-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 786188
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 3766448

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-2-(4-ethylpiperazin-1-yl)acetamide?
The IUPAC name of N-(benzylideneamino)-2-(4-ethylpiperazin-1-yl)acetamide (CID 791586) is N-(benzylideneamino)-2-(4-ethylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(benzylideneamino)-2-(4-ethylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(benzylideneamino)-2-(4-ethylpiperazin-1-yl)acetamide is CCN1CCN(CC(=O)NN=Cc2ccccc2)CC1.
What is the InChIKey of N-(benzylideneamino)-2-(4-ethylpiperazin-1-yl)acetamide?
The InChIKey is PCOLKHMFOFFREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-2-18-8-10-19(11-9-18)13-15(20)17-16-12-14-6-4-3-5-7-14/h3-7,12H,2,8-11,13H2,1H3,(H,17,20).
What are the key properties of N-(benzylideneamino)-2-(4-ethylpiperazin-1-yl)acetamide?
N-(benzylideneamino)-2-(4-ethylpiperazin-1-yl)acetamide has a molecular weight of 274.37 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-2-(4-ethylpiperazin-1-yl)acetamide is sourced from PubChem (CID 791586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).