6-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one

C16H17F3N4O2 — CID 129346944

IUPAC6-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)c2cccc(=O)[nH]2)C1
InChIInChI=1S/C16H17F3N4O2/c1-22-9-12(16(17,18)19)21-14(22)10-4-3-7-23(8-10)15(25)11-5-2-6-13(24)20-11/h2,5-6,9-10H,3-4,7-8H2,1H3,(H,20,24)/t10-/m1/s1
InChIKeyWHCYPDVVXNZHHO-SNVBAGLBSA-N
MW354.33 g/mol
LogP2.15
Rot. Bonds2

About 6-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one

6-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 129346944) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is 6-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID129346944
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name6-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)c2cccc(=O)[nH]2)C1
InChIInChI=1S/C16H17F3N4O2/c1-22-9-12(16(17,18)19)21-14(22)10-4-3-7-23(8-10)15(25)11-5-2-6-13(24)20-11/h2,5-6,9-10H,3-4,7-8H2,1H3,(H,20,24)/t10-/m1/s1
InChIKeyWHCYPDVVXNZHHO-SNVBAGLBSA-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

Analyze 6-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one with MolForge

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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-2H-triazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 128980244
(1-methylpyrazol-4-yl)-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 129346418
(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
(5-hydroxy-3-pyridinyl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 128980204
2-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 129351066
2-(3-bromoimidazo[1,2-a]pyridin-2-yl)-1-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 167933281
1-(6-oxo-1H-pyridine-2-carbonyl)piperidine-3-carbonitrile
CID 114040125
6-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 107262059
3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1-(oxetan-3-ylsulfonyl)piperidine
CID 154795526
6-[4-(dimethylamino)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 107261752

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one (CID 129346944) is 6-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one is Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)c2cccc(=O)[nH]2)C1.
What is the InChIKey of 6-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is WHCYPDVVXNZHHO-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c1-22-9-12(16(17,18)19)21-14(22)10-4-3-7-23(8-10)15(25)11-5-2-6-13(24)20-11/h2,5-6,9-10H,3-4,7-8H2,1H3,(H,20,24)/t10-/m1/s1.
What are the key properties of 6-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
6-[(3R)-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 6-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 129346944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).