N-[(E)-benzylideneamino]-2-(4-benzylpiperazin-1-yl)acetamide

C20H24N4O — CID 6885304

IUPACN-[(E)-benzylideneamino]-2-(4-benzylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccccc1
InChIInChI=1S/C20H24N4O/c25-20(22-21-15-18-7-3-1-4-8-18)17-24-13-11-23(12-14-24)16-19-9-5-2-6-10-19/h1-10,15H,11-14,16-17H2,(H,22,25)/b21-15+
InChIKeyGKTAHEIFHHAQAK-RCCKNPSSSA-N
MW336.44 g/mol
LogP1.95
Rot. Bonds6

About N-[(E)-benzylideneamino]-2-(4-benzylpiperazin-1-yl)acetamide

N-[(E)-benzylideneamino]-2-(4-benzylpiperazin-1-yl)acetamide (PubChem CID 6885304) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-2-(4-benzylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-2-(4-benzylpiperazin-1-yl)acetamide
PubChem CID6885304
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-[(E)-benzylideneamino]-2-(4-benzylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccccc1
InChIInChI=1S/C20H24N4O/c25-20(22-21-15-18-7-3-1-4-8-18)17-24-13-11-23(12-14-24)16-19-9-5-2-6-10-19/h1-10,15H,11-14,16-17H2,(H,22,25)/b21-15+
InChIKeyGKTAHEIFHHAQAK-RCCKNPSSSA-N
XLogP1.95
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.95
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-[(2E)-2-Benzylidenehydrazino]-2-oxo-N-(1-phenylethyl)acetamide
CID 5334512
4-benzyl-N-[(E)-phenylmethylidene]-1-piperazinamine
CID 5343041
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(3-fluorophenyl)methylideneamino]acetamide
CID 6884979
2-(4-benzylpiperazin-1-yl)-N'-{(E)-[4-(methylsulfanyl)phenyl]methylidene}acetohydrazide
CID 6886736
2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide
CID 6885330
(4-Benzylpiperazin-1-yl)-acetic acid ethylidene-hydrazide, 5
CID 9543561
2-(4-Benzylpiperazin-1-yl)acetohydrazide
CID 9543562
N-[(E)-(2-fluorophenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 6863186
2-(4-benzyl-1-piperazinyl)-N'-[(E)-(2-chlorophenyl)methylidene]acetohydrazide
CID 6887128
N'-(benzylideneamino)-N-(2-phenylethyl)oxamide
CID 3105061
5-(4-benzylpiperazino)-6-phenyl-3(2H)-pyridazinone
CID 3286437
2-piperidin-1-yl-N'-{(1E)-[3-(trifluoromethyl)phenyl]methylene}acetohydrazide
CID 56642871

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-2-(4-benzylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(E)-benzylideneamino]-2-(4-benzylpiperazin-1-yl)acetamide (CID 6885304) is N-[(E)-benzylideneamino]-2-(4-benzylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-2-(4-benzylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(E)-benzylideneamino]-2-(4-benzylpiperazin-1-yl)acetamide is O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccccc1.
What is the InChIKey of N-[(E)-benzylideneamino]-2-(4-benzylpiperazin-1-yl)acetamide?
The InChIKey is GKTAHEIFHHAQAK-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H24N4O/c25-20(22-21-15-18-7-3-1-4-8-18)17-24-13-11-23(12-14-24)16-19-9-5-2-6-10-19/h1-10,15H,11-14,16-17H2,(H,22,25)/b21-15+.
What are the key properties of N-[(E)-benzylideneamino]-2-(4-benzylpiperazin-1-yl)acetamide?
N-[(E)-benzylideneamino]-2-(4-benzylpiperazin-1-yl)acetamide has a molecular weight of 336.44 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-2-(4-benzylpiperazin-1-yl)acetamide is sourced from PubChem (CID 6885304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).