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

C20H23FN4O — CID 6885330

IUPAC2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccccc1F
InChIInChI=1S/C20H23FN4O/c21-19-9-5-4-8-18(19)14-22-23-20(26)16-25-12-10-24(11-13-25)15-17-6-2-1-3-7-17/h1-9,14H,10-13,15-16H2,(H,23,26)/b22-14+
InChIKeyAGYMHNVJOFQPJE-HYARGMPZSA-N
MW354.43 g/mol
LogP2.09
Rot. Bonds6

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

2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide (PubChem CID 6885330) 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)-(2-fluorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide
PubChem CID6885330
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccccc1F
InChIInChI=1S/C20H23FN4O/c21-19-9-5-4-8-18(19)14-22-23-20(26)16-25-12-10-24(11-13-25)15-17-6-2-1-3-7-17/h1-9,14H,10-13,15-16H2,(H,23,26)/b22-14+
InChIKeyAGYMHNVJOFQPJE-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide (CID 6885330) is 2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide is O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccccc1F.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide?
The InChIKey is AGYMHNVJOFQPJE-HYARGMPZSA-N. The full InChI is InChI=1S/C20H23FN4O/c21-19-9-5-4-8-18(19)14-22-23-20(26)16-25-12-10-24(11-13-25)15-17-6-2-1-3-7-17/h1-9,14H,10-13,15-16H2,(H,23,26)/b22-14+.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide?
2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-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)-(2-fluorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 6885330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).