(5-tert-butyl-2-methylfuran-3-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

C20H24F3N3O2 — CID 2742899

IUPAC(5-tert-butyl-2-methylfuran-3-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCc1oc(C(C)(C)C)cc1C(=O)N1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C20H24F3N3O2/c1-13-14(12-16(28-13)19(2,3)4)18(27)26-10-8-25(9-11-26)17-15(20(21,22)23)6-5-7-24-17/h5-7,12H,8-11H2,1-4H3
InChIKeyFLVLKLDBXZNHSK-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.26
Rot. Bonds2

About (5-tert-butyl-2-methylfuran-3-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

(5-tert-butyl-2-methylfuran-3-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 2742899) has the molecular formula C20H24F3N3O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is (5-tert-butyl-2-methylfuran-3-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-tert-butyl-2-methylfuran-3-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID2742899
Molecular FormulaC20H24F3N3O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC Name(5-tert-butyl-2-methylfuran-3-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCc1oc(C(C)(C)C)cc1C(=O)N1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C20H24F3N3O2/c1-13-14(12-16(28-13)19(2,3)4)18(27)26-10-8-25(9-11-26)17-15(20(21,22)23)6-5-7-24-17/h5-7,12H,8-11H2,1-4H3
InChIKeyFLVLKLDBXZNHSK-UHFFFAOYSA-N
XLogP4.26
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-tert-butyl-2-methylfuran-3-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]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

(3-Methoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 790124
5-Phenyl-2-trifluoromethyl-furan-3-carboxylic acid (6-morpholin-4-yl-pyridin-3-yl)-amide
CID 16757105
1-(2-Methoxybenzoyl)-4-(2-pyridinyl)piperazine
CID 800911
(2,5-Dimethylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 1245848
(2,5-Dimethyl-3-furyl){4-[5-(trifluoromethyl)-2-pyridinyl]piperazino}methanone
CID 2811732
(2-Ethoxyphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 4878784
6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-6,7-dihydro-5H-1-benzofuran-4-one
CID 10804995
4,4-Dimethyl-1-[4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butyl]piperidine-2,6-dione;hydrochloride
CID 45259329
(2-ethoxyphenyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyridin-2-yl]amino]piperidin-1-yl]methanone
CID 86271215
2-[4-(2,5-Dimethyl-3-furoyl)-1-piperazinyl]pyrimidine
CID 1246046
(3-Phenoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 3256126
2-(3-Acetylphenoxy)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 4878098

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-2-methylfuran-3-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of (5-tert-butyl-2-methylfuran-3-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (CID 2742899) is (5-tert-butyl-2-methylfuran-3-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-tert-butyl-2-methylfuran-3-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-tert-butyl-2-methylfuran-3-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is Cc1oc(C(C)(C)C)cc1C(=O)N1CCN(c2ncccc2C(F)(F)F)CC1.
What is the InChIKey of (5-tert-butyl-2-methylfuran-3-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is FLVLKLDBXZNHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O2/c1-13-14(12-16(28-13)19(2,3)4)18(27)26-10-8-25(9-11-26)17-15(20(21,22)23)6-5-7-24-17/h5-7,12H,8-11H2,1-4H3.
What are the key properties of (5-tert-butyl-2-methylfuran-3-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
(5-tert-butyl-2-methylfuran-3-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 395.43 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-2-methylfuran-3-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 2742899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).