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

C22H27F3N4O2 — CID 141241323

IUPAC(4-hydroxypiperidin-1-yl)-[3-(5-methyl-1H-pyrazol-3-yl)-5-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESCc1cc(C2CC(c3cccc(C(F)(F)F)c3)CN(C(=O)N3CCC(O)CC3)C2)n[nH]1
InChIInChI=1S/C22H27F3N4O2/c1-14-9-20(27-26-14)17-10-16(15-3-2-4-18(11-15)22(23,24)25)12-29(13-17)21(31)28-7-5-19(30)6-8-28/h2-4,9,11,16-17,19,30H,5-8,10,12-13H2,1H3,(H,26,27)
InChIKeyRVOJEXZTNGEFBZ-UHFFFAOYSA-N
MW436.48 g/mol
LogP3.89
Rot. Bonds2

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

(4-hydroxypiperidin-1-yl)-[3-(5-methyl-1H-pyrazol-3-yl)-5-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 141241323) has the molecular formula C22H27F3N4O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[3-(5-methyl-1H-pyrazol-3-yl)-5-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-[3-(5-methyl-1H-pyrazol-3-yl)-5-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
PubChem CID141241323
Molecular FormulaC22H27F3N4O2
Molecular Weight436.48 g/mol
Exact Mass436.21
IUPAC Name(4-hydroxypiperidin-1-yl)-[3-(5-methyl-1H-pyrazol-3-yl)-5-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESCc1cc(C2CC(c3cccc(C(F)(F)F)c3)CN(C(=O)N3CCC(O)CC3)C2)n[nH]1
InChIInChI=1S/C22H27F3N4O2/c1-14-9-20(27-26-14)17-10-16(15-3-2-4-18(11-15)22(23,24)25)12-29(13-17)21(31)28-7-5-19(30)6-8-28/h2-4,9,11,16-17,19,30H,5-8,10,12-13H2,1H3,(H,26,27)
InChIKeyRVOJEXZTNGEFBZ-UHFFFAOYSA-N
XLogP3.89
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-[3-(5-methyl-1H-pyrazol-3-yl)-5-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-[3-(5-methyl-1H-pyrazol-3-yl)-5-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 141241323) is (4-hydroxypiperidin-1-yl)-[3-(5-methyl-1H-pyrazol-3-yl)-5-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-[3-(5-methyl-1H-pyrazol-3-yl)-5-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-[3-(5-methyl-1H-pyrazol-3-yl)-5-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is Cc1cc(C2CC(c3cccc(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-methyl-1H-pyrazol-3-yl)-5-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The InChIKey is RVOJEXZTNGEFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N4O2/c1-14-9-20(27-26-14)17-10-16(15-3-2-4-18(11-15)22(23,24)25)12-29(13-17)21(31)28-7-5-19(30)6-8-28/h2-4,9,11,16-17,19,30H,5-8,10,12-13H2,1H3,(H,26,27).
What are the key properties of (4-hydroxypiperidin-1-yl)-[3-(5-methyl-1H-pyrazol-3-yl)-5-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
(4-hydroxypiperidin-1-yl)-[3-(5-methyl-1H-pyrazol-3-yl)-5-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 436.48 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-[3-(5-methyl-1H-pyrazol-3-yl)-5-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 141241323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).