phenyl-[1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]triazol-4-yl]methanone

C23H24F3N5O — CID 11048500

IUPACphenyl-[1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]triazol-4-yl]methanone
SMILESO=C(c1ccccc1)c1cn(CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)nn1
InChIInChI=1S/C23H24F3N5O/c24-23(25,26)19-8-4-9-20(16-19)30-14-12-29(13-15-30)10-5-11-31-17-21(27-28-31)22(32)18-6-2-1-3-7-18/h1-4,6-9,16-17H,5,10-15H2
InChIKeyVIHNTIIHPSBINX-UHFFFAOYSA-N
MW443.47 g/mol
LogP3.74
Rot. Bonds7

About phenyl-[1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]triazol-4-yl]methanone

phenyl-[1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]triazol-4-yl]methanone (PubChem CID 11048500) has the molecular formula C23H24F3N5O and a molecular weight of 443.47 g/mol. Its IUPAC name is phenyl-[1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]triazol-4-yl]methanone.

Molecular Properties

Compound Namephenyl-[1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]triazol-4-yl]methanone
PubChem CID11048500
Molecular FormulaC23H24F3N5O
Molecular Weight443.47 g/mol
Exact Mass443.19
IUPAC Namephenyl-[1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]triazol-4-yl]methanone
SMILESO=C(c1ccccc1)c1cn(CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)nn1
InChIInChI=1S/C23H24F3N5O/c24-23(25,26)19-8-4-9-20(16-19)30-14-12-29(13-15-30)10-5-11-31-17-21(27-28-31)22(32)18-6-2-1-3-7-18/h1-4,6-9,16-17H,5,10-15H2
InChIKeyVIHNTIIHPSBINX-UHFFFAOYSA-N
XLogP3.74
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]triazole-4-carboxylate
CID 142709645
methyl 1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]triazole-4-carboxylate;hydrochloride
CID 142709644
oxalic acid;3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
CID 163332625
4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-ol;hydrochloride
CID 71757707
1-hexyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3317565
1-(1,3-dihydroisoindol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-one
CID 11532392
1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinoxalin-2-one
CID 139617050
1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 76852194
3-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexyl]-1H-benzimidazol-2-one
CID 23369442
acetic acid;(4-chlorophenyl)-[3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]methanone
CID 70606951
1-(2-bromoethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 61287958
acetyl-diphenyl-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]azanium;hydrochloride
CID 70555088

Frequently Asked Questions

What is the IUPAC name of phenyl-[1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]triazol-4-yl]methanone?
The IUPAC name of phenyl-[1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]triazol-4-yl]methanone (CID 11048500) is phenyl-[1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]triazol-4-yl]methanone.
What is the SMILES notation for phenyl-[1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]triazol-4-yl]methanone?
The canonical SMILES for phenyl-[1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]triazol-4-yl]methanone is O=C(c1ccccc1)c1cn(CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)nn1.
What is the InChIKey of phenyl-[1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]triazol-4-yl]methanone?
The InChIKey is VIHNTIIHPSBINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O/c24-23(25,26)19-8-4-9-20(16-19)30-14-12-29(13-15-30)10-5-11-31-17-21(27-28-31)22(32)18-6-2-1-3-7-18/h1-4,6-9,16-17H,5,10-15H2.
What are the key properties of phenyl-[1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]triazol-4-yl]methanone?
phenyl-[1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]triazol-4-yl]methanone has a molecular weight of 443.47 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]triazol-4-yl]methanone is sourced from PubChem (CID 11048500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).