1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-1-one

C17H23F3N2O2S — CID 170759258

IUPAC1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-1-one
SMILESCC(CC(=O)N1CCC(c2nccs2)CC1)OCC1(C(F)(F)F)CC1
InChIInChI=1S/C17H23F3N2O2S/c1-12(24-11-16(4-5-16)17(18,19)20)10-14(23)22-7-2-13(3-8-22)15-21-6-9-25-15/h6,9,12-13H,2-5,7-8,10-11H2,1H3
InChIKeyWDYAJHHFOHUGBV-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.99
Rot. Bonds6

About 1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-1-one

1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-1-one (PubChem CID 170759258) has the molecular formula C17H23F3N2O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-1-one.

Molecular Properties

Compound Name1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-1-one
PubChem CID170759258
Molecular FormulaC17H23F3N2O2S
Molecular Weight376.44 g/mol
Exact Mass376.14
IUPAC Name1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-1-one
SMILESCC(CC(=O)N1CCC(c2nccs2)CC1)OCC1(C(F)(F)F)CC1
InChIInChI=1S/C17H23F3N2O2S/c1-12(24-11-16(4-5-16)17(18,19)20)10-14(23)22-7-2-13(3-8-22)15-21-6-9-25-15/h6,9,12-13H,2-5,7-8,10-11H2,1H3
InChIKeyWDYAJHHFOHUGBV-UHFFFAOYSA-N
XLogP3.99
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-1-one?
The IUPAC name of 1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-1-one (CID 170759258) is 1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-1-one.
What is the SMILES notation for 1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-1-one?
The canonical SMILES for 1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-1-one is CC(CC(=O)N1CCC(c2nccs2)CC1)OCC1(C(F)(F)F)CC1.
What is the InChIKey of 1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-1-one?
The InChIKey is WDYAJHHFOHUGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2S/c1-12(24-11-16(4-5-16)17(18,19)20)10-14(23)22-7-2-13(3-8-22)15-21-6-9-25-15/h6,9,12-13H,2-5,7-8,10-11H2,1H3.
What are the key properties of 1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-1-one?
1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-1-one has a molecular weight of 376.44 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-1-one is sourced from PubChem (CID 170759258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).