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

C25H26FN3O — CID 42850972

IUPAC4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(CN3CCN(c4ccc(F)cc4)CC3)cc2)cc1
InChIInChI=1S/C25H26FN3O/c1-19-2-10-23(11-3-19)27-25(30)21-6-4-20(5-7-21)18-28-14-16-29(17-15-28)24-12-8-22(26)9-13-24/h2-13H,14-18H2,1H3,(H,27,30)
InChIKeyDVDFXZIDCBDWMK-UHFFFAOYSA-N
MW403.50 g/mol
LogP4.71
Rot. Bonds5

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

4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide (PubChem CID 42850972) has the molecular formula C25H26FN3O and a molecular weight of 403.50 g/mol. Its IUPAC name is 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide
PubChem CID42850972
Molecular FormulaC25H26FN3O
Molecular Weight403.50 g/mol
Exact Mass403.21
IUPAC Name4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(CN3CCN(c4ccc(F)cc4)CC3)cc2)cc1
InChIInChI=1S/C25H26FN3O/c1-19-2-10-23(11-3-19)27-25(30)21-6-4-20(5-7-21)18-28-14-16-29(17-15-28)24-12-8-22(26)9-13-24/h2-13H,14-18H2,1H3,(H,27,30)
InChIKeyDVDFXZIDCBDWMK-UHFFFAOYSA-N
XLogP4.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide
CID 46043618
N-(4-fluorophenyl)-4-[4-(2-methylpropyl)piperazin-1-yl]benzamide
CID 174859465
4-fluoro-N-[4-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]phenyl]benzamide
CID 44528282
4-(azepan-1-ylmethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53278710
N-(4-tert-butylphenyl)-4-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]benzamide
CID 44530075
4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide
CID 42858990
4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983940
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-4-fluorobenzamide
CID 17050565
5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 56654101
4-methyl-N-[4-(1,4-oxazepan-4-ylmethyl)phenyl]benzamide
CID 166858230
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzamide
CID 1132517

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide?
The IUPAC name of 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide (CID 42850972) is 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide?
The canonical SMILES for 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(CN3CCN(c4ccc(F)cc4)CC3)cc2)cc1.
What is the InChIKey of 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide?
The InChIKey is DVDFXZIDCBDWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O/c1-19-2-10-23(11-3-19)27-25(30)21-6-4-20(5-7-21)18-28-14-16-29(17-15-28)24-12-8-22(26)9-13-24/h2-13H,14-18H2,1H3,(H,27,30).
What are the key properties of 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide?
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide has a molecular weight of 403.50 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 42850972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).