N-[3-[4-(4-cyanophenyl)piperazin-1-yl]-1-phenylpropyl]-4-(trifluoromethyl)benzamide

C28H27F3N4O — CID 46946385

IUPACN-[3-[4-(4-cyanophenyl)piperazin-1-yl]-1-phenylpropyl]-4-(trifluoromethyl)benzamide
SMILESN#Cc1ccc(N2CCN(CCC(NC(=O)c3ccc(C(F)(F)F)cc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H27F3N4O/c29-28(30,31)24-10-8-23(9-11-24)27(36)33-26(22-4-2-1-3-5-22)14-15-34-16-18-35(19-17-34)25-12-6-21(20-32)7-13-25/h1-13,26H,14-19H2,(H,33,36)
InChIKeyXVAMCXRYAVNGJY-UHFFFAOYSA-N
MW492.55 g/mol
LogP5.26
Rot. Bonds7

About N-[3-[4-(4-cyanophenyl)piperazin-1-yl]-1-phenylpropyl]-4-(trifluoromethyl)benzamide

N-[3-[4-(4-cyanophenyl)piperazin-1-yl]-1-phenylpropyl]-4-(trifluoromethyl)benzamide (PubChem CID 46946385) has the molecular formula C28H27F3N4O and a molecular weight of 492.55 g/mol. Its IUPAC name is N-[3-[4-(4-cyanophenyl)piperazin-1-yl]-1-phenylpropyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[4-(4-cyanophenyl)piperazin-1-yl]-1-phenylpropyl]-4-(trifluoromethyl)benzamide
PubChem CID46946385
Molecular FormulaC28H27F3N4O
Molecular Weight492.55 g/mol
Exact Mass492.21
IUPAC NameN-[3-[4-(4-cyanophenyl)piperazin-1-yl]-1-phenylpropyl]-4-(trifluoromethyl)benzamide
SMILESN#Cc1ccc(N2CCN(CCC(NC(=O)c3ccc(C(F)(F)F)cc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H27F3N4O/c29-28(30,31)24-10-8-23(9-11-24)27(36)33-26(22-4-2-1-3-5-22)14-15-34-16-18-35(19-17-34)25-12-6-21(20-32)7-13-25/h1-13,26H,14-19H2,(H,33,36)
InChIKeyXVAMCXRYAVNGJY-UHFFFAOYSA-N
XLogP5.26
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.55
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224510
N-[(1S)-3-[5-(2-chloro-6-fluorobenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]-4-cyanobenzamide
CID 69148605
4-cyano-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
CID 8936275
4-[4-(3-hydroxy-4-phenoxybutyl)piperazin-1-yl]benzonitrile
CID 19840232
N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]benzamide
CID 175133925
4-cyano-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266430
2-chloro-N-[3-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 55720710
4-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]benzonitrile
CID 113081045
N-[1-(4-cyanophenyl)-2-phenylethyl]benzamide
CID 164679164
1-(2-chloroethyl)-4-[4-(trifluoromethyl)phenyl]piperazine
CID 63392477
N-[1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]benzamide
CID 54386733
3-phenyl-3-[[4-(4-piperidin-4-ylpiperazin-1-yl)benzoyl]amino]propanoic acid
CID 54511221

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-cyanophenyl)piperazin-1-yl]-1-phenylpropyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[4-(4-cyanophenyl)piperazin-1-yl]-1-phenylpropyl]-4-(trifluoromethyl)benzamide (CID 46946385) is N-[3-[4-(4-cyanophenyl)piperazin-1-yl]-1-phenylpropyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[4-(4-cyanophenyl)piperazin-1-yl]-1-phenylpropyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[4-(4-cyanophenyl)piperazin-1-yl]-1-phenylpropyl]-4-(trifluoromethyl)benzamide is N#Cc1ccc(N2CCN(CCC(NC(=O)c3ccc(C(F)(F)F)cc3)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[3-[4-(4-cyanophenyl)piperazin-1-yl]-1-phenylpropyl]-4-(trifluoromethyl)benzamide?
The InChIKey is XVAMCXRYAVNGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N4O/c29-28(30,31)24-10-8-23(9-11-24)27(36)33-26(22-4-2-1-3-5-22)14-15-34-16-18-35(19-17-34)25-12-6-21(20-32)7-13-25/h1-13,26H,14-19H2,(H,33,36).
What are the key properties of N-[3-[4-(4-cyanophenyl)piperazin-1-yl]-1-phenylpropyl]-4-(trifluoromethyl)benzamide?
N-[3-[4-(4-cyanophenyl)piperazin-1-yl]-1-phenylpropyl]-4-(trifluoromethyl)benzamide has a molecular weight of 492.55 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-cyanophenyl)piperazin-1-yl]-1-phenylpropyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 46946385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).