1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone

C22H29FN4OS — CID 651609

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
SMILESCC1CCCC(C)N1C(=O)CN1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C22H29FN4OS/c1-16-4-3-5-17(2)27(16)21(28)14-25-10-12-26(13-11-25)22-24-20(15-29-22)18-6-8-19(23)9-7-18/h6-9,15-17H,3-5,10-14H2,1-2H3
InChIKeyWYZXEPZTJKORNT-UHFFFAOYSA-N
MW416.57 g/mol
LogP3.86
Rot. Bonds4

About 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone

1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone (PubChem CID 651609) has the molecular formula C22H29FN4OS and a molecular weight of 416.57 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
PubChem CID651609
Molecular FormulaC22H29FN4OS
Molecular Weight416.57 g/mol
Exact Mass416.20
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
SMILESCC1CCCC(C)N1C(=O)CN1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C22H29FN4OS/c1-16-4-3-5-17(2)27(16)21(28)14-25-10-12-26(13-11-25)22-24-20(15-29-22)18-6-8-19(23)9-7-18/h6-9,15-17H,3-5,10-14H2,1-2H3
InChIKeyWYZXEPZTJKORNT-UHFFFAOYSA-N
XLogP3.86
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone (CID 651609) is 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone is CC1CCCC(C)N1C(=O)CN1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?
The InChIKey is WYZXEPZTJKORNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4OS/c1-16-4-3-5-17(2)27(16)21(28)14-25-10-12-26(13-11-25)22-24-20(15-29-22)18-6-8-19(23)9-7-18/h6-9,15-17H,3-5,10-14H2,1-2H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?
1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone has a molecular weight of 416.57 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 651609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).