N-[(E)-(2-fluorophenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide

C21H25FN4O — CID 6863186

IUPACN-[(E)-(2-fluorophenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCc1ccc(CN2CCN(CC(=O)N/N=C/c3ccccc3F)CC2)cc1
InChIInChI=1S/C21H25FN4O/c1-17-6-8-18(9-7-17)15-25-10-12-26(13-11-25)16-21(27)24-23-14-19-4-2-3-5-20(19)22/h2-9,14H,10-13,15-16H2,1H3,(H,24,27)/b23-14+
InChIKeyMSFGVUALBGAALG-OEAKJJBVSA-N
MW368.46 g/mol
LogP2.40
Rot. Bonds6

About N-[(E)-(2-fluorophenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide

N-[(E)-(2-fluorophenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 6863186) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[(E)-(2-fluorophenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(E)-(2-fluorophenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID6863186
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC NameN-[(E)-(2-fluorophenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCc1ccc(CN2CCN(CC(=O)N/N=C/c3ccccc3F)CC2)cc1
InChIInChI=1S/C21H25FN4O/c1-17-6-8-18(9-7-17)15-25-10-12-26(13-11-25)16-21(27)24-23-14-19-4-2-3-5-20(19)22/h2-9,14H,10-13,15-16H2,1H3,(H,24,27)/b23-14+
InChIKeyMSFGVUALBGAALG-OEAKJJBVSA-N
XLogP2.40
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.40
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 N-[(E)-(2-fluorophenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[(E)-(2-fluorophenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide (CID 6863186) is N-[(E)-(2-fluorophenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(E)-(2-fluorophenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[(E)-(2-fluorophenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide is Cc1ccc(CN2CCN(CC(=O)N/N=C/c3ccccc3F)CC2)cc1.
What is the InChIKey of N-[(E)-(2-fluorophenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is MSFGVUALBGAALG-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H25FN4O/c1-17-6-8-18(9-7-17)15-25-10-12-26(13-11-25)16-21(27)24-23-14-19-4-2-3-5-20(19)22/h2-9,14H,10-13,15-16H2,1H3,(H,24,27)/b23-14+.
What are the key properties of N-[(E)-(2-fluorophenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide?
N-[(E)-(2-fluorophenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 368.46 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-fluorophenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 6863186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).