N-(4-fluorophenyl)-4-[4-(2-methylpropyl)piperazin-1-yl]benzamide

C21H26FN3O — CID 174859465

IUPACN-(4-fluorophenyl)-4-[4-(2-methylpropyl)piperazin-1-yl]benzamide
SMILESCC(C)CN1CCN(c2ccc(C(=O)Nc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C21H26FN3O/c1-16(2)15-24-11-13-25(14-12-24)20-9-3-17(4-10-20)21(26)23-19-7-5-18(22)6-8-19/h3-10,16H,11-15H2,1-2H3,(H,23,26)
InChIKeySFTRSYVWBVSZLD-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.86
Rot. Bonds5

About N-(4-fluorophenyl)-4-[4-(2-methylpropyl)piperazin-1-yl]benzamide

N-(4-fluorophenyl)-4-[4-(2-methylpropyl)piperazin-1-yl]benzamide (PubChem CID 174859465) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[4-(2-methylpropyl)piperazin-1-yl]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[4-(2-methylpropyl)piperazin-1-yl]benzamide
PubChem CID174859465
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC NameN-(4-fluorophenyl)-4-[4-(2-methylpropyl)piperazin-1-yl]benzamide
SMILESCC(C)CN1CCN(c2ccc(C(=O)Nc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C21H26FN3O/c1-16(2)15-24-11-13-25(14-12-24)20-9-3-17(4-10-20)21(26)23-19-7-5-18(22)6-8-19/h3-10,16H,11-15H2,1-2H3,(H,23,26)
InChIKeySFTRSYVWBVSZLD-UHFFFAOYSA-N
XLogP3.86
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983940
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide
CID 42850972
4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988761
N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-4-fluorobenzamide
CID 17050565
4-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043983
N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 1142120
N-(4-fluorophenyl)-4-[4-(4-hydroxy-2,5-dimethylphenyl)piperazin-1-yl]benzamide
CID 121380335
4-fluoro-N-[4-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]phenyl]benzamide
CID 44528282
N-(4-fluorophenyl)-4-[4-(4-hydroxy-3-methylphenyl)piperazin-1-yl]benzamide;tribromoborane
CID 162161258
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropanoate
CID 43398425
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(phenylcarbamoylamino)benzamide
CID 39052757

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[4-(2-methylpropyl)piperazin-1-yl]benzamide?
The IUPAC name of N-(4-fluorophenyl)-4-[4-(2-methylpropyl)piperazin-1-yl]benzamide (CID 174859465) is N-(4-fluorophenyl)-4-[4-(2-methylpropyl)piperazin-1-yl]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[4-(2-methylpropyl)piperazin-1-yl]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[4-(2-methylpropyl)piperazin-1-yl]benzamide is CC(C)CN1CCN(c2ccc(C(=O)Nc3ccc(F)cc3)cc2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-4-[4-(2-methylpropyl)piperazin-1-yl]benzamide?
The InChIKey is SFTRSYVWBVSZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-16(2)15-24-11-13-25(14-12-24)20-9-3-17(4-10-20)21(26)23-19-7-5-18(22)6-8-19/h3-10,16H,11-15H2,1-2H3,(H,23,26).
What are the key properties of N-(4-fluorophenyl)-4-[4-(2-methylpropyl)piperazin-1-yl]benzamide?
N-(4-fluorophenyl)-4-[4-(2-methylpropyl)piperazin-1-yl]benzamide has a molecular weight of 355.46 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[4-(2-methylpropyl)piperazin-1-yl]benzamide is sourced from PubChem (CID 174859465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).