(3,4-dimethylphenyl)-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone

C20H22F3N3O — CID 129043284

IUPAC(3,4-dimethylphenyl)-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(Cc3ncccc3C(F)(F)F)CC2)cc1C
InChIInChI=1S/C20H22F3N3O/c1-14-5-6-16(12-15(14)2)19(27)26-10-8-25(9-11-26)13-18-17(20(21,22)23)4-3-7-24-18/h3-7,12H,8-11,13H2,1-2H3
InChIKeyZQMIOGGLNAICOG-UHFFFAOYSA-N
MW377.41 g/mol
LogP3.68
Rot. Bonds3

About (3,4-dimethylphenyl)-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone

(3,4-dimethylphenyl)-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone (PubChem CID 129043284) has the molecular formula C20H22F3N3O and a molecular weight of 377.41 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone
PubChem CID129043284
Molecular FormulaC20H22F3N3O
Molecular Weight377.41 g/mol
Exact Mass377.17
IUPAC Name(3,4-dimethylphenyl)-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(Cc3ncccc3C(F)(F)F)CC2)cc1C
InChIInChI=1S/C20H22F3N3O/c1-14-5-6-16(12-15(14)2)19(27)26-10-8-25(9-11-26)13-18-17(20(21,22)23)4-3-7-24-18/h3-7,12H,8-11,13H2,1-2H3
InChIKeyZQMIOGGLNAICOG-UHFFFAOYSA-N
XLogP3.68
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3,4-dimethylphenyl)-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone
CID 59634778
1-[4-(sulfinatoamino)-3-(trifluoromethoxy)benzoyl]-4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazine
CID 139375742
2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429563
(3,4-dimethylphenyl)-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122250793
[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 70714057
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 19294943
[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methanone
CID 28634915
(3,4-dimethylphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398984
N-[2-methyl-4-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfinamide
CID 129043270
(3,4-dimethylphenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 90571752
(3,4-dimethylphenyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 51308012
pyridin-3-yl-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 695033

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone (CID 129043284) is (3,4-dimethylphenyl)-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(Cc3ncccc3C(F)(F)F)CC2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone?
The InChIKey is ZQMIOGGLNAICOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O/c1-14-5-6-16(12-15(14)2)19(27)26-10-8-25(9-11-26)13-18-17(20(21,22)23)4-3-7-24-18/h3-7,12H,8-11,13H2,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone?
(3,4-dimethylphenyl)-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone has a molecular weight of 377.41 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 129043284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).