[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

C21H24F3N3O2S — CID 90617660

IUPAC[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CCC(N2CCC(Oc3nccs3)CC2)CC1
InChIInChI=1S/C21H24F3N3O2S/c22-21(23,24)18-4-2-1-3-17(18)19(28)27-10-5-15(6-11-27)26-12-7-16(8-13-26)29-20-25-9-14-30-20/h1-4,9,14-16H,5-8,10-13H2
InChIKeyZLEJQTBPBIBLDS-UHFFFAOYSA-N
MW439.50 g/mol
LogP4.31
Rot. Bonds4

About [4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 90617660) has the molecular formula C21H24F3N3O2S and a molecular weight of 439.50 g/mol. Its IUPAC name is [4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID90617660
Molecular FormulaC21H24F3N3O2S
Molecular Weight439.50 g/mol
Exact Mass439.15
IUPAC Name[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CCC(N2CCC(Oc3nccs3)CC2)CC1
InChIInChI=1S/C21H24F3N3O2S/c22-21(23,24)18-4-2-1-3-17(18)19(28)27-10-5-15(6-11-27)26-12-7-16(8-13-26)29-20-25-9-14-30-20/h1-4,9,14-16H,5-8,10-13H2
InChIKeyZLEJQTBPBIBLDS-UHFFFAOYSA-N
XLogP4.31
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-fluorophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617593
(2-methylquinolin-8-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 86264475
(4-iodophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617849
(3-chlorophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617838
[4-(4-methylphenyl)phenyl]-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617689
4-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidine-1-carbonyl]benzonitrile
CID 90617599
(5-methylpyrazin-2-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617840
[4-[1-(1,3-thiazole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 123497602
2-(benzimidazol-1-yl)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone
CID 90617825
(4-cyclobutyl-1,4-diazepan-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 131702225
(3-phenylmethoxyphenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617761
(3,4-diethoxyphenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617839

Frequently Asked Questions

What is the IUPAC name of [4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 90617660) is [4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccccc1C(F)(F)F)N1CCC(N2CCC(Oc3nccs3)CC2)CC1.
What is the InChIKey of [4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is ZLEJQTBPBIBLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O2S/c22-21(23,24)18-4-2-1-3-17(18)19(28)27-10-5-15(6-11-27)26-12-7-16(8-13-26)29-20-25-9-14-30-20/h1-4,9,14-16H,5-8,10-13H2.
What are the key properties of [4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 439.50 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 90617660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).