N-ethyl-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide

C20H24FN3O — CID 46043618

IUPACN-ethyl-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide
SMILESCCNC(=O)c1ccc(CN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H24FN3O/c1-2-22-20(25)17-5-3-16(4-6-17)15-23-11-13-24(14-12-23)19-9-7-18(21)8-10-19/h3-10H,2,11-15H2,1H3,(H,22,25)
InChIKeyUERJUMDVZGHZRL-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.90
Rot. Bonds5

About N-ethyl-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide

N-ethyl-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide (PubChem CID 46043618) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is N-ethyl-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide
PubChem CID46043618
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC NameN-ethyl-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide
SMILESCCNC(=O)c1ccc(CN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H24FN3O/c1-2-22-20(25)17-5-3-16(4-6-17)15-23-11-13-24(14-12-23)19-9-7-18(21)8-10-19/h3-10H,2,11-15H2,1H3,(H,22,25)
InChIKeyUERJUMDVZGHZRL-UHFFFAOYSA-N
XLogP2.90
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide
CID 46043620
N-[(4-fluorophenyl)methyl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 42858918
N-[(2-fluorophenyl)methyl]-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide
CID 46157742
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide
CID 42850972
4-ethyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide
CID 42224820
N-ethyl-4-[[[C-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 111165797
N-[2-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide
CID 11545168
N-ethyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43918377
N-ethyl-4-[4-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperazin-1-yl]benzamide
CID 66717241
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 55721620
2-bromo-N-[[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methyl]acetamide
CID 139912851
N-ethyl-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide;molecular hydrogen
CID 143541774

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide?
The IUPAC name of N-ethyl-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide (CID 46043618) is N-ethyl-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for N-ethyl-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide?
The canonical SMILES for N-ethyl-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide is CCNC(=O)c1ccc(CN2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-ethyl-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide?
The InChIKey is UERJUMDVZGHZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-2-22-20(25)17-5-3-16(4-6-17)15-23-11-13-24(14-12-23)19-9-7-18(21)8-10-19/h3-10H,2,11-15H2,1H3,(H,22,25).
What are the key properties of N-ethyl-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide?
N-ethyl-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide has a molecular weight of 341.43 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 46043618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).