(2,5-dimethylfuran-3-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

C17H18F3N3O2 — CID 2811732

IUPAC(2,5-dimethylfuran-3-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(C)o1
InChIInChI=1S/C17H18F3N3O2/c1-11-9-14(12(2)25-11)16(24)23-7-5-22(6-8-23)15-4-3-13(10-21-15)17(18,19)20/h3-4,9-10H,5-8H2,1-2H3
InChIKeyKDJLOANEMKJNKP-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.27
Rot. Bonds2

About (2,5-dimethylfuran-3-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

(2,5-dimethylfuran-3-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 2811732) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID2811732
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name(2,5-dimethylfuran-3-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(C)o1
InChIInChI=1S/C17H18F3N3O2/c1-11-9-14(12(2)25-11)16(24)23-7-5-22(6-8-23)15-4-3-13(10-21-15)17(18,19)20/h3-4,9-10H,5-8H2,1-2H3
InChIKeyKDJLOANEMKJNKP-UHFFFAOYSA-N
XLogP3.27
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,5-dimethylfuran-3-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

6-Methyl-3-(2-methylpropyl)-N-(5-methylpyridin-2-YL)-4-oxo-3H,4H-furo[2,3-D]pyrimidine-5-carboxamide
CID 16023780
5-Phenyl-2-trifluoromethyl-furan-3-carboxylic acid (6-morpholin-4-yl-pyridin-3-yl)-amide
CID 16757105
(2-Methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 800911
(2-Methylfuran-3-yl)[4-(pyrimidin-2-yl)piperazin-1-yl]methanone
CID 887215
1-(2,5-Dimethyl-3-furoyl)-4-(2-pyridinyl)piperazine
CID 1245848
[5-(Tert-butyl)-2-methyl-3-furyl]{4-[3-(trifluoromethyl)pyridin-2-yl]piperazino}methanone
CID 2742899
(2-Ethoxyphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 4878784
(2-Ethoxy-3-pyridinyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 4881950
2-methoxy-N-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]benzamide
CID 4882340
3,6-dimethyl-4-oxo-N~5~-(2-pyridyl)-3,4-dihydrofuro[2,3-d]pyrimidine-5-carboxamide
CID 16009470
(5-Methylfuran-2-yl)-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone
CID 4878421
(2-ethoxyphenyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyridin-2-yl]amino]piperidin-1-yl]methanone
CID 86271215

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (CID 2811732) is (2,5-dimethylfuran-3-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is KDJLOANEMKJNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-11-9-14(12(2)25-11)16(24)23-7-5-22(6-8-23)15-4-3-13(10-21-15)17(18,19)20/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
(2,5-dimethylfuran-3-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 353.34 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 2811732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).