[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone

C12H15F3N2O2S — CID 126815294

IUPAC[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone
SMILESCOC1(C(F)(F)F)CCN(C(=O)c2cc(C)sn2)CC1
InChIInChI=1S/C12H15F3N2O2S/c1-8-7-9(16-20-8)10(18)17-5-3-11(19-2,4-6-17)12(13,14)15/h7H,3-6H2,1-2H3
InChIKeyIKZGOZBPWDNBCT-UHFFFAOYSA-N
MW308.32 g/mol
LogP2.64
Rot. Bonds2

About [4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone

[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone (PubChem CID 126815294) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.32 g/mol. Its IUPAC name is [4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone.

Molecular Properties

Compound Name[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone
PubChem CID126815294
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.32 g/mol
Exact Mass308.08
IUPAC Name[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone
SMILESCOC1(C(F)(F)F)CCN(C(=O)c2cc(C)sn2)CC1
InChIInChI=1S/C12H15F3N2O2S/c1-8-7-9(16-20-8)10(18)17-5-3-11(19-2,4-6-17)12(13,14)15/h7H,3-6H2,1-2H3
InChIKeyIKZGOZBPWDNBCT-UHFFFAOYSA-N
XLogP2.64
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone?
The IUPAC name of [4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone (CID 126815294) is [4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone.
What is the SMILES notation for [4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone?
The canonical SMILES for [4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone is COC1(C(F)(F)F)CCN(C(=O)c2cc(C)sn2)CC1.
What is the InChIKey of [4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone?
The InChIKey is IKZGOZBPWDNBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c1-8-7-9(16-20-8)10(18)17-5-3-11(19-2,4-6-17)12(13,14)15/h7H,3-6H2,1-2H3.
What are the key properties of [4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone?
[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone has a molecular weight of 308.32 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone is sourced from PubChem (CID 126815294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).