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

C25H26FN3O — CID 42858918

IUPACN-[(4-fluorophenyl)methyl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C25H26FN3O/c26-23-12-8-20(9-13-23)18-27-25(30)22-10-6-21(7-11-22)19-28-14-16-29(17-15-28)24-4-2-1-3-5-24/h1-13H,14-19H2,(H,27,30)
InChIKeyQBZSYJMPRANSDE-UHFFFAOYSA-N
MW403.50 g/mol
LogP4.08
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide (PubChem CID 42858918) has the molecular formula C25H26FN3O and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
PubChem CID42858918
Molecular FormulaC25H26FN3O
Molecular Weight403.50 g/mol
Exact Mass403.21
IUPAC NameN-[(4-fluorophenyl)methyl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C25H26FN3O/c26-23-12-8-20(9-13-23)18-27-25(30)22-10-6-21(7-11-22)19-28-14-16-29(17-15-28)24-4-2-1-3-5-24/h1-13H,14-19H2,(H,27,30)
InChIKeyQBZSYJMPRANSDE-UHFFFAOYSA-N
XLogP4.08
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide
CID 46157742
4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 42858798
N-ethyl-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide
CID 46043618
N-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1364206
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
N-[2-(dimethylamino)ethyl]-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide
CID 46043620
2-bromo-N-[[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methyl]acetamide
CID 139912851
N-[[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]phenyl]methyl]benzamide
CID 23108907
3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 42858807
N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109155580
N-benzyl-3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]benzamide
CID 42858908
N-benzyl-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 109255242

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide (CID 42858918) is N-[(4-fluorophenyl)methyl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide is O=C(NCc1ccc(F)cc1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide?
The InChIKey is QBZSYJMPRANSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O/c26-23-12-8-20(9-13-23)18-27-25(30)22-10-6-21(7-11-22)19-28-14-16-29(17-15-28)24-4-2-1-3-5-24/h1-13H,14-19H2,(H,27,30).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide?
N-[(4-fluorophenyl)methyl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide has a molecular weight of 403.50 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 42858918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).