2-(4-benzylpiperazin-1-yl)-N-[(E)-(3-fluorophenyl)methylideneamino]acetamide

C20H23FN4O — CID 6880196

IUPAC2-(4-benzylpiperazin-1-yl)-N-[(E)-(3-fluorophenyl)methylideneamino]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1cccc(F)c1
InChIInChI=1S/C20H23FN4O/c21-19-8-4-7-18(13-19)14-22-23-20(26)16-25-11-9-24(10-12-25)15-17-5-2-1-3-6-17/h1-8,13-14H,9-12,15-16H2,(H,23,26)/b22-14+
InChIKeyQHOIGGLNMLBWMG-HYARGMPZSA-N
MW354.43 g/mol
LogP2.09
Rot. Bonds6

About 2-(4-benzylpiperazin-1-yl)-N-[(E)-(3-fluorophenyl)methylideneamino]acetamide

2-(4-benzylpiperazin-1-yl)-N-[(E)-(3-fluorophenyl)methylideneamino]acetamide (PubChem CID 6880196) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-[(E)-(3-fluorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-[(E)-(3-fluorophenyl)methylideneamino]acetamide
PubChem CID6880196
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-[(E)-(3-fluorophenyl)methylideneamino]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1cccc(F)c1
InChIInChI=1S/C20H23FN4O/c21-19-8-4-7-18(13-19)14-22-23-20(26)16-25-11-9-24(10-12-25)15-17-5-2-1-3-6-17/h1-8,13-14H,9-12,15-16H2,(H,23,26)/b22-14+
InChIKeyQHOIGGLNMLBWMG-HYARGMPZSA-N
XLogP2.09
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.09
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

(4-Benzyl-piperazin-1-yl)-(4-fluoro-benzylidene)-amine
CID 5342960
2-[(2E)-2-Benzylidenehydrazino]-2-oxo-N-(1-phenylethyl)acetamide
CID 5334512
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
N-[(E)-(2-fluorophenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide
CID 6899264
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-(1-azocanyl)-N'-(2,4-difluorobenzylidene)acetohydrazide
CID 5338387
N'-(3,4-difluorobenzylidene)-2-(4-methyl-1-piperazinyl)acetohydrazide
CID 6894489
N'-(2,4-difluorobenzylidene)-2-(4-ethyl-1-piperazinyl)acetohydrazide
CID 6894556
N-[(E)-(2-fluorophenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 6863186

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[(E)-(3-fluorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[(E)-(3-fluorophenyl)methylideneamino]acetamide (CID 6880196) is 2-(4-benzylpiperazin-1-yl)-N-[(E)-(3-fluorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-[(E)-(3-fluorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-[(E)-(3-fluorophenyl)methylideneamino]acetamide is O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1cccc(F)c1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-[(E)-(3-fluorophenyl)methylideneamino]acetamide?
The InChIKey is QHOIGGLNMLBWMG-HYARGMPZSA-N. The full InChI is InChI=1S/C20H23FN4O/c21-19-8-4-7-18(13-19)14-22-23-20(26)16-25-11-9-24(10-12-25)15-17-5-2-1-3-6-17/h1-8,13-14H,9-12,15-16H2,(H,23,26)/b22-14+.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-[(E)-(3-fluorophenyl)methylideneamino]acetamide?
2-(4-benzylpiperazin-1-yl)-N-[(E)-(3-fluorophenyl)methylideneamino]acetamide has a molecular weight of 354.43 g/mol, XLogP of 2.09, 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)-(3-fluorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 6880196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).