(4-hydroxypiperidin-1-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

C25H33F3N4O3 — CID 141241437

IUPAC(4-hydroxypiperidin-1-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESCOCCc1cc(C2CC(c3ccc(C)c(C(F)(F)F)c3)CN(C(=O)N3CCC(O)CC3)C2)n[nH]1
InChIInChI=1S/C25H33F3N4O3/c1-16-3-4-17(12-22(16)25(26,27)28)18-11-19(23-13-20(29-30-23)7-10-35-2)15-32(14-18)24(34)31-8-5-21(33)6-9-31/h3-4,12-13,18-19,21,33H,5-11,14-15H2,1-2H3,(H,29,30)
InChIKeyLMMURWURBMYEFE-UHFFFAOYSA-N
MW494.56 g/mol
LogP4.08
Rot. Bonds5

About (4-hydroxypiperidin-1-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

(4-hydroxypiperidin-1-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 141241437) has the molecular formula C25H33F3N4O3 and a molecular weight of 494.56 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
PubChem CID141241437
Molecular FormulaC25H33F3N4O3
Molecular Weight494.56 g/mol
Exact Mass494.25
IUPAC Name(4-hydroxypiperidin-1-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESCOCCc1cc(C2CC(c3ccc(C)c(C(F)(F)F)c3)CN(C(=O)N3CCC(O)CC3)C2)n[nH]1
InChIInChI=1S/C25H33F3N4O3/c1-16-3-4-17(12-22(16)25(26,27)28)18-11-19(23-13-20(29-30-23)7-10-35-2)15-32(14-18)24(34)31-8-5-21(33)6-9-31/h3-4,12-13,18-19,21,33H,5-11,14-15H2,1-2H3,(H,29,30)
InChIKeyLMMURWURBMYEFE-UHFFFAOYSA-N
XLogP4.08
TPSA81.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.56
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-hydroxypiperidin-1-yl)-[3-(5-methyl-1H-pyrazol-3-yl)-5-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 141241323
(4-hydroxypiperidin-1-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[3-methyl-4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone
CID 141241330
[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-methoxypiperidin-1-yl)methanone
CID 141241332
(2,2-dimethylmorpholin-4-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 141241333
[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-5-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 141241340
(4-hydroxypiperidin-1-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 141241365
[3-(4-ethylphenyl)-5-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 141241368
(3-methoxyazetidin-1-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 141241376
[3-(4-ethylphenyl)-5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 141241377
(3-hydroxyazetidin-1-yl)-[3-(3-propan-2-yl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 141241380
[3-(5-benzyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 141241389
[3-[3-(2,5-difluorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 141241398

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 141241437) is (4-hydroxypiperidin-1-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is COCCc1cc(C2CC(c3ccc(C)c(C(F)(F)F)c3)CN(C(=O)N3CCC(O)CC3)C2)n[nH]1.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The InChIKey is LMMURWURBMYEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F3N4O3/c1-16-3-4-17(12-22(16)25(26,27)28)18-11-19(23-13-20(29-30-23)7-10-35-2)15-32(14-18)24(34)31-8-5-21(33)6-9-31/h3-4,12-13,18-19,21,33H,5-11,14-15H2,1-2H3,(H,29,30).
What are the key properties of (4-hydroxypiperidin-1-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
(4-hydroxypiperidin-1-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 494.56 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 141241437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).