(3-methylpiperidin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone

C14H17F3N2O — CID 134005087

IUPAC(3-methylpiperidin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N1CCCC(C)C1
InChIInChI=1S/C14H17F3N2O/c1-9-4-3-7-19(8-9)13(20)11-5-6-12(14(15,16)17)18-10(11)2/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyCOCHYYKQOLUBLK-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.28
Rot. Bonds1

About (3-methylpiperidin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone

(3-methylpiperidin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 134005087) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID134005087
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name(3-methylpiperidin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N1CCCC(C)C1
InChIInChI=1S/C14H17F3N2O/c1-9-4-3-7-19(8-9)13(20)11-5-6-12(14(15,16)17)18-10(11)2/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyCOCHYYKQOLUBLK-UHFFFAOYSA-N
XLogP3.28
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-methylpiperidin-1-yl)-[2-methyl-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

[2-methyl-6-(4-methylphenyl)-3-pyridinyl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 124938243
[6-(4-fluorophenyl)-2-methyl-3-pyridinyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 124938472
[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 95294843
(3S,4S)-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951143
(4-ethylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 134004996
1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid
CID 119137791
4-hydroxy-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-4-carboxylic acid
CID 119251954
1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 31910212
(2,6-dimethyl-3-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 61060522
2-methyl-N-[1-(5-methyl-1H-pyrazole-4-carbonyl)azepan-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 110248413
(2-methylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 119469998
(4-methyl-2-phenylpyrimidin-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 110856145

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone (CID 134005087) is (3-methylpiperidin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone is Cc1nc(C(F)(F)F)ccc1C(=O)N1CCCC(C)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is COCHYYKQOLUBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-9-4-3-7-19(8-9)13(20)11-5-6-12(14(15,16)17)18-10(11)2/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of (3-methylpiperidin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
(3-methylpiperidin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 286.30 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 134005087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).