(5-methyl-2H-triazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone

C14H17F3N6O — CID 128980244

IUPAC(5-methyl-2H-triazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1n[nH]nc1C(=O)N1CCCC(c2nc(C(F)(F)F)cn2C)C1
InChIInChI=1S/C14H17F3N6O/c1-8-11(20-21-19-8)13(24)23-5-3-4-9(6-23)12-18-10(7-22(12)2)14(15,16)17/h7,9H,3-6H2,1-2H3,(H,19,20,21)
InChIKeySDNVDLGZDJSAMX-UHFFFAOYSA-N
MW342.33 g/mol
LogP1.89
Rot. Bonds2

About (5-methyl-2H-triazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone

(5-methyl-2H-triazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 128980244) has the molecular formula C14H17F3N6O and a molecular weight of 342.33 g/mol. Its IUPAC name is (5-methyl-2H-triazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-2H-triazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID128980244
Molecular FormulaC14H17F3N6O
Molecular Weight342.33 g/mol
Exact Mass342.14
IUPAC Name(5-methyl-2H-triazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1n[nH]nc1C(=O)N1CCCC(c2nc(C(F)(F)F)cn2C)C1
InChIInChI=1S/C14H17F3N6O/c1-8-11(20-21-19-8)13(24)23-5-3-4-9(6-23)12-18-10(7-22(12)2)14(15,16)17/h7,9H,3-6H2,1-2H3,(H,19,20,21)
InChIKeySDNVDLGZDJSAMX-UHFFFAOYSA-N
XLogP1.89
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 128980186
(5-methyl-1H-pyrazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 128980200
(5-methylpyrazin-2-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 128979420
(1-methylpyrazol-4-yl)-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 129346418
6-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 129346944
(5-hydroxy-3-pyridinyl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 128980204
2-(3-bromoimidazo[1,2-a]pyridin-2-yl)-1-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 167933281
N-[2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethyl]methanesulfonamide
CID 154739693
2-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 129351066
3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1-(oxetan-3-ylsulfonyl)piperidine
CID 154795526
1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine
CID 128978577
5-methyl-2-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole
CID 129351271

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2H-triazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-2H-triazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 128980244) is (5-methyl-2H-triazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-2H-triazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-2H-triazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone is Cc1n[nH]nc1C(=O)N1CCCC(c2nc(C(F)(F)F)cn2C)C1.
What is the InChIKey of (5-methyl-2H-triazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is SDNVDLGZDJSAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6O/c1-8-11(20-21-19-8)13(24)23-5-3-4-9(6-23)12-18-10(7-22(12)2)14(15,16)17/h7,9H,3-6H2,1-2H3,(H,19,20,21).
What are the key properties of (5-methyl-2H-triazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone?
(5-methyl-2H-triazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 342.33 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2H-triazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 128980244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).