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

C24H31F3N4O4 — CID 141241513

IUPAC(4-hydroxypiperidin-1-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone
SMILESCOCCc1cc(C2CC(c3cccc(OC(F)(F)F)c3)CN(C(=O)N3CCC(O)CC3)C2)n[nH]1
InChIInChI=1S/C24H31F3N4O4/c1-34-10-7-19-13-22(29-28-19)18-11-17(16-3-2-4-21(12-16)35-24(25,26)27)14-31(15-18)23(33)30-8-5-20(32)6-9-30/h2-4,12-13,17-18,20,32H,5-11,14-15H2,1H3,(H,28,29)
InChIKeyIQRLFQBOLUGWAW-UHFFFAOYSA-N
MW496.53 g/mol
LogP3.65
Rot. Bonds6

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

(4-hydroxypiperidin-1-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone (PubChem CID 141241513) has the molecular formula C24H31F3N4O4 and a molecular weight of 496.53 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone
PubChem CID141241513
Molecular FormulaC24H31F3N4O4
Molecular Weight496.53 g/mol
Exact Mass496.23
IUPAC Name(4-hydroxypiperidin-1-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone
SMILESCOCCc1cc(C2CC(c3cccc(OC(F)(F)F)c3)CN(C(=O)N3CCC(O)CC3)C2)n[nH]1
InChIInChI=1S/C24H31F3N4O4/c1-34-10-7-19-13-22(29-28-19)18-11-17(16-3-2-4-21(12-16)35-24(25,26)27)14-31(15-18)23(33)30-8-5-20(32)6-9-30/h2-4,12-13,17-18,20,32H,5-11,14-15H2,1H3,(H,28,29)
InChIKeyIQRLFQBOLUGWAW-UHFFFAOYSA-N
XLogP3.65
TPSA90.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.53
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-hydroxyazetidin-1-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone
CID 141241403
[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 141382635
(4-hydroxypiperidin-1-yl)-[3-(5-methyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone
CID 141241331
1-(4-hydroxypiperidine-1-carbonyl)-5-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxylic acid
CID 58002193
[1-(4-hydroxypiperidine-1-carbonyl)-5-[3-(trifluoromethoxy)phenyl]piperidin-3-yl] methyl carbonate
CID 67084302
(3-hydroxypyrrolidin-1-yl)-[3-(5-methyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone
CID 141241354
[3-(3,4-dimethylphenyl)-5-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 141241434
[3-[4-(difluoromethoxy)phenyl]-5-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 141382658
[3-[5-(methoxymethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 141241481
(4-hydroxypiperidin-1-yl)-[3-[5-(methylsulfonylmethyl)-1H-pyrazol-3-yl]-5-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 141241447
[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 141241638
[3-(4-ethylphenyl)-5-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 174621539

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone (CID 141241513) is (4-hydroxypiperidin-1-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone is COCCc1cc(C2CC(c3cccc(OC(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-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone?
The InChIKey is IQRLFQBOLUGWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3N4O4/c1-34-10-7-19-13-22(29-28-19)18-11-17(16-3-2-4-21(12-16)35-24(25,26)27)14-31(15-18)23(33)30-8-5-20(32)6-9-30/h2-4,12-13,17-18,20,32H,5-11,14-15H2,1H3,(H,28,29).
What are the key properties of (4-hydroxypiperidin-1-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone?
(4-hydroxypiperidin-1-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone has a molecular weight of 496.53 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 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-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 141241513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).