(1-thiophen-2-ylcyclopentyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone

C18H20F3N3O2S — CID 90539972

IUPAC(1-thiophen-2-ylcyclopentyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(N1CCC(c2nnc(C(F)(F)F)o2)CC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C18H20F3N3O2S/c19-18(20,21)15-23-22-14(26-15)12-5-9-24(10-6-12)16(25)17(7-1-2-8-17)13-4-3-11-27-13/h3-4,11-12H,1-2,5-10H2
InChIKeyJKJHQKQUKSZKAZ-UHFFFAOYSA-N
MW399.44 g/mol
LogP4.37
Rot. Bonds3

About (1-thiophen-2-ylcyclopentyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone

(1-thiophen-2-ylcyclopentyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 90539972) has the molecular formula C18H20F3N3O2S and a molecular weight of 399.44 g/mol. Its IUPAC name is (1-thiophen-2-ylcyclopentyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-thiophen-2-ylcyclopentyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
PubChem CID90539972
Molecular FormulaC18H20F3N3O2S
Molecular Weight399.44 g/mol
Exact Mass399.12
IUPAC Name(1-thiophen-2-ylcyclopentyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(N1CCC(c2nnc(C(F)(F)F)o2)CC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C18H20F3N3O2S/c19-18(20,21)15-23-22-14(26-15)12-5-9-24(10-6-12)16(25)17(7-1-2-8-17)13-4-3-11-27-13/h3-4,11-12H,1-2,5-10H2
InChIKeyJKJHQKQUKSZKAZ-UHFFFAOYSA-N
XLogP4.37
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-thiophen-2-ylcyclopentyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (1-thiophen-2-ylcyclopentyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (CID 90539972) is (1-thiophen-2-ylcyclopentyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-thiophen-2-ylcyclopentyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1-thiophen-2-ylcyclopentyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is O=C(N1CCC(c2nnc(C(F)(F)F)o2)CC1)C1(c2cccs2)CCCC1.
What is the InChIKey of (1-thiophen-2-ylcyclopentyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is JKJHQKQUKSZKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2S/c19-18(20,21)15-23-22-14(26-15)12-5-9-24(10-6-12)16(25)17(7-1-2-8-17)13-4-3-11-27-13/h3-4,11-12H,1-2,5-10H2.
What are the key properties of (1-thiophen-2-ylcyclopentyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
(1-thiophen-2-ylcyclopentyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 399.44 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-thiophen-2-ylcyclopentyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 90539972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).