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

C16H17F3N4O2 — CID 128980204

IUPAC(5-hydroxy-3-pyridinyl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCn1cc(C(F)(F)F)nc1C1CCCN(C(=O)c2cncc(O)c2)C1
InChIInChI=1S/C16H17F3N4O2/c1-22-9-13(16(17,18)19)21-14(22)10-3-2-4-23(8-10)15(25)11-5-12(24)7-20-6-11/h5-7,9-10,24H,2-4,8H2,1H3
InChIKeyZALRNXXTZDHGSS-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.56
Rot. Bonds2

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

(5-hydroxy-3-pyridinyl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 128980204) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is (5-hydroxy-3-pyridinyl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-hydroxy-3-pyridinyl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID128980204
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name(5-hydroxy-3-pyridinyl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCn1cc(C(F)(F)F)nc1C1CCCN(C(=O)c2cncc(O)c2)C1
InChIInChI=1S/C16H17F3N4O2/c1-22-9-13(16(17,18)19)21-14(22)10-3-2-4-23(8-10)15(25)11-5-12(24)7-20-6-11/h5-7,9-10,24H,2-4,8H2,1H3
InChIKeyZALRNXXTZDHGSS-UHFFFAOYSA-N
XLogP2.56
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylpyrazol-4-yl)-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 129346418
(5-methylpyrazin-2-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 128979420
(5-methyl-1H-pyrazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 128980200
(5-methyl-2H-triazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 128980244
[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 128980186
6-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 129346944
(5-hydroxy-3-pyridinyl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
CID 122267692
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(5-hydroxy-3-pyridinyl)methanone
CID 63860883
(5-hydroxy-3-pyridinyl)-(4-propylazepan-1-yl)methanone
CID 63930804
[3-(dimethylamino)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 63858593
2-(3-bromoimidazo[1,2-a]pyridin-2-yl)-1-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 167933281
2-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 129351066

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-3-pyridinyl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-hydroxy-3-pyridinyl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 128980204) is (5-hydroxy-3-pyridinyl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-hydroxy-3-pyridinyl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-hydroxy-3-pyridinyl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone is Cn1cc(C(F)(F)F)nc1C1CCCN(C(=O)c2cncc(O)c2)C1.
What is the InChIKey of (5-hydroxy-3-pyridinyl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is ZALRNXXTZDHGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c1-22-9-13(16(17,18)19)21-14(22)10-3-2-4-23(8-10)15(25)11-5-12(24)7-20-6-11/h5-7,9-10,24H,2-4,8H2,1H3.
What are the key properties of (5-hydroxy-3-pyridinyl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone?
(5-hydroxy-3-pyridinyl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 354.33 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-3-pyridinyl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 128980204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).