[4-(3-methylphenyl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

C18H18F3N3O — CID 35875973

IUPAC[4-(3-methylphenyl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)c1
InChIInChI=1S/C18H18F3N3O/c1-13-3-2-4-15(11-13)23-7-9-24(10-8-23)17(25)14-5-6-16(22-12-14)18(19,20)21/h2-6,11-12H,7-10H2,1H3
InChIKeyJRLFIOUUPJPJTN-UHFFFAOYSA-N
MW349.36 g/mol
LogP3.37
Rot. Bonds2

About [4-(3-methylphenyl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

[4-(3-methylphenyl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 35875973) has the molecular formula C18H18F3N3O and a molecular weight of 349.36 g/mol. Its IUPAC name is [4-(3-methylphenyl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(3-methylphenyl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID35875973
Molecular FormulaC18H18F3N3O
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Name[4-(3-methylphenyl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)c1
InChIInChI=1S/C18H18F3N3O/c1-13-3-2-4-15(11-13)23-7-9-24(10-8-23)17(25)14-5-6-16(22-12-14)18(19,20)21/h2-6,11-12H,7-10H2,1H3
InChIKeyJRLFIOUUPJPJTN-UHFFFAOYSA-N
XLogP3.37
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(3-methylphenyl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
[6-(3-methylanilino)-3-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109160392
phenyl-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]methanone
CID 33497333
(3,4-difluorophenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 17465933
[4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295146
[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 122333070
[4-(3-methylphenyl)piperazin-1-yl]-[5-(morpholine-4-carbonyl)-3-pyridinyl]methanone
CID 109103768
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 122332338
[4-(3-methylphenyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 25398177
[5-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226310
[4-(3-methylphenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110762685
[2-(2-methylanilino)pyrimidin-5-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109261992

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 35875973) is [4-(3-methylphenyl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [4-(3-methylphenyl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [4-(3-methylphenyl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is Cc1cccc(N2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)c1.
What is the InChIKey of [4-(3-methylphenyl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is JRLFIOUUPJPJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O/c1-13-3-2-4-15(11-13)23-7-9-24(10-8-23)17(25)14-5-6-16(22-12-14)18(19,20)21/h2-6,11-12H,7-10H2,1H3.
What are the key properties of [4-(3-methylphenyl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
[4-(3-methylphenyl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 349.36 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylphenyl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 35875973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).