4-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one

C16H17F3N4O2 — CID 128980223

IUPAC4-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCn1cc(C(F)(F)F)nc1C1CCCN(C(=O)c2cc[nH]c(=O)c2)C1
InChIInChI=1S/C16H17F3N4O2/c1-22-9-12(16(17,18)19)21-14(22)11-3-2-6-23(8-11)15(25)10-4-5-20-13(24)7-10/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,20,24)
InChIKeyWYZQUFNNJOWSPF-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.15
Rot. Bonds2

About 4-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one

4-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 128980223) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is 4-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID128980223
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name4-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCn1cc(C(F)(F)F)nc1C1CCCN(C(=O)c2cc[nH]c(=O)c2)C1
InChIInChI=1S/C16H17F3N4O2/c1-22-9-12(16(17,18)19)21-14(22)11-3-2-6-23(8-11)15(25)10-4-5-20-13(24)7-10/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,20,24)
InChIKeyWYZQUFNNJOWSPF-UHFFFAOYSA-N
XLogP2.15
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 4-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one (CID 128980223) is 4-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one is Cn1cc(C(F)(F)F)nc1C1CCCN(C(=O)c2cc[nH]c(=O)c2)C1.
What is the InChIKey of 4-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is WYZQUFNNJOWSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c1-22-9-12(16(17,18)19)21-14(22)11-3-2-6-23(8-11)15(25)10-4-5-20-13(24)7-10/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,20,24).
What are the key properties of 4-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
4-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 354.33 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 128980223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).