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

C20H24FN3O2S — CID 90617593

IUPAC(2-fluorophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCC(N2CCC(Oc3nccs3)CC2)CC1
InChIInChI=1S/C20H24FN3O2S/c21-18-4-2-1-3-17(18)19(25)24-10-5-15(6-11-24)23-12-7-16(8-13-23)26-20-22-9-14-27-20/h1-4,9,14-16H,5-8,10-13H2
InChIKeyRUXVHBTTWNINBU-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.43
Rot. Bonds4

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

(2-fluorophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone (PubChem CID 90617593) has the molecular formula C20H24FN3O2S and a molecular weight of 389.50 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
PubChem CID90617593
Molecular FormulaC20H24FN3O2S
Molecular Weight389.50 g/mol
Exact Mass389.16
IUPAC Name(2-fluorophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCC(N2CCC(Oc3nccs3)CC2)CC1
InChIInChI=1S/C20H24FN3O2S/c21-18-4-2-1-3-17(18)19(25)24-10-5-15(6-11-24)23-12-7-16(8-13-23)26-20-22-9-14-27-20/h1-4,9,14-16H,5-8,10-13H2
InChIKeyRUXVHBTTWNINBU-UHFFFAOYSA-N
XLogP3.43
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 90617660
(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
(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
2-pyrimidin-2-ylsulfanyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone
CID 90617879
2-(benzimidazol-1-yl)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone
CID 90617825
methyl 2-[3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carbonyl]benzoate
CID 121150532

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone (CID 90617593) is (2-fluorophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone is O=C(c1ccccc1F)N1CCC(N2CCC(Oc3nccs3)CC2)CC1.
What is the InChIKey of (2-fluorophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone?
The InChIKey is RUXVHBTTWNINBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2S/c21-18-4-2-1-3-17(18)19(25)24-10-5-15(6-11-24)23-12-7-16(8-13-23)26-20-22-9-14-27-20/h1-4,9,14-16H,5-8,10-13H2.
What are the key properties of (2-fluorophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone?
(2-fluorophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone has a molecular weight of 389.50 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 90617593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).