3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one

C17H24F3N3O3 — CID 136515711

IUPAC3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCc1nc(C2CCCC2)no1)N1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C17H24F3N3O3/c18-17(19,20)15(25)11-7-9-23(10-8-11)14(24)6-5-13-21-16(22-26-13)12-3-1-2-4-12/h11-12,15,25H,1-10H2
InChIKeyLVQAIJXVIDVZRF-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.82
Rot. Bonds5

About 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one

3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one (PubChem CID 136515711) has the molecular formula C17H24F3N3O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one
PubChem CID136515711
Molecular FormulaC17H24F3N3O3
Molecular Weight375.39 g/mol
Exact Mass375.18
IUPAC Name3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCc1nc(C2CCCC2)no1)N1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C17H24F3N3O3/c18-17(19,20)15(25)11-7-9-23(10-8-11)14(24)6-5-13-21-16(22-26-13)12-3-1-2-4-12/h11-12,15,25H,1-10H2
InChIKeyLVQAIJXVIDVZRF-UHFFFAOYSA-N
XLogP2.82
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one (CID 136515711) is 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one is O=C(CCc1nc(C2CCCC2)no1)N1CCC(C(O)C(F)(F)F)CC1.
What is the InChIKey of 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one?
The InChIKey is LVQAIJXVIDVZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O3/c18-17(19,20)15(25)11-7-9-23(10-8-11)14(24)6-5-13-21-16(22-26-13)12-3-1-2-4-12/h11-12,15,25H,1-10H2.
What are the key properties of 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one?
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one has a molecular weight of 375.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 136515711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).