[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone

C26H26F4N4O3 — CID 141241353

IUPAC[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CC(c2ccc(OC(F)(F)F)cc2)CC(c2cc(-c3ccc(F)cc3)n[nH]2)C1
InChIInChI=1S/C26H26F4N4O3/c27-21-5-1-18(2-6-21)23-14-24(32-31-23)20-13-19(17-3-7-22(8-4-17)37-26(28,29)30)15-34(16-20)25(35)33-9-11-36-12-10-33/h1-8,14,19-20H,9-13,15-16H2,(H,31,32)
InChIKeyZPZCORSVAYLIRL-UHFFFAOYSA-N
MW518.51 g/mol
LogP5.14
Rot. Bonds4

About [3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone

[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 141241353) has the molecular formula C26H26F4N4O3 and a molecular weight of 518.51 g/mol. Its IUPAC name is [3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
PubChem CID141241353
Molecular FormulaC26H26F4N4O3
Molecular Weight518.51 g/mol
Exact Mass518.19
IUPAC Name[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CC(c2ccc(OC(F)(F)F)cc2)CC(c2cc(-c3ccc(F)cc3)n[nH]2)C1
InChIInChI=1S/C26H26F4N4O3/c27-21-5-1-18(2-6-21)23-14-24(32-31-23)20-13-19(17-3-7-22(8-4-17)37-26(28,29)30)15-34(16-20)25(35)33-9-11-36-12-10-33/h1-8,14,19-20H,9-13,15-16H2,(H,31,32)
InChIKeyZPZCORSVAYLIRL-UHFFFAOYSA-N
XLogP5.14
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.51
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone (CID 141241353) is [3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CC(c2ccc(OC(F)(F)F)cc2)CC(c2cc(-c3ccc(F)cc3)n[nH]2)C1.
What is the InChIKey of [3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is ZPZCORSVAYLIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F4N4O3/c27-21-5-1-18(2-6-21)23-14-24(32-31-23)20-13-19(17-3-7-22(8-4-17)37-26(28,29)30)15-34(16-20)25(35)33-9-11-36-12-10-33/h1-8,14,19-20H,9-13,15-16H2,(H,31,32).
What are the key properties of [3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone?
[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 518.51 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 141241353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).