6-methyl-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one

C16H17F3N4O2 — CID 128995259

IUPAC6-methyl-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCCC(c3ncc(C(F)(F)F)[nH]3)C2)c(=O)[nH]1
InChIInChI=1S/C16H17F3N4O2/c1-9-4-5-11(14(24)21-9)15(25)23-6-2-3-10(8-23)13-20-7-12(22-13)16(17,18)19/h4-5,7,10H,2-3,6,8H2,1H3,(H,20,22)(H,21,24)
InChIKeyPJJZLKHKQSQUAA-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.45
Rot. Bonds2

About 6-methyl-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one

6-methyl-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 128995259) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is 6-methyl-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID128995259
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name6-methyl-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCCC(c3ncc(C(F)(F)F)[nH]3)C2)c(=O)[nH]1
InChIInChI=1S/C16H17F3N4O2/c1-9-4-5-11(14(24)21-9)15(25)23-6-2-3-10(8-23)13-20-7-12(22-13)16(17,18)19/h4-5,7,10H,2-3,6,8H2,1H3,(H,20,22)(H,21,24)
InChIKeyPJJZLKHKQSQUAA-UHFFFAOYSA-N
XLogP2.45
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-methyl-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one (CID 128995259) is 6-methyl-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one is Cc1ccc(C(=O)N2CCCC(c3ncc(C(F)(F)F)[nH]3)C2)c(=O)[nH]1.
What is the InChIKey of 6-methyl-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is PJJZLKHKQSQUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c1-9-4-5-11(14(24)21-9)15(25)23-6-2-3-10(8-23)13-20-7-12(22-13)16(17,18)19/h4-5,7,10H,2-3,6,8H2,1H3,(H,20,22)(H,21,24).
What are the key properties of 6-methyl-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
6-methyl-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 354.33 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 128995259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).