2-(2-chlorophenyl)-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone

C16H15ClF3N3O2 — CID 71792972

IUPAC2-(2-chlorophenyl)-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C16H15ClF3N3O2/c17-12-4-2-1-3-11(12)9-13(24)23-7-5-10(6-8-23)14-21-22-15(25-14)16(18,19)20/h1-4,10H,5-9H2
InChIKeyYPTNEBWJVKDLPD-UHFFFAOYSA-N
MW373.76 g/mol
LogP3.69
Rot. Bonds3

About 2-(2-chlorophenyl)-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone

2-(2-chlorophenyl)-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 71792972) has the molecular formula C16H15ClF3N3O2 and a molecular weight of 373.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
PubChem CID71792972
Molecular FormulaC16H15ClF3N3O2
Molecular Weight373.76 g/mol
Exact Mass373.08
IUPAC Name2-(2-chlorophenyl)-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C16H15ClF3N3O2/c17-12-4-2-1-3-11(12)9-13(24)23-7-5-10(6-8-23)14-21-22-15(25-14)16(18,19)20/h1-4,10H,5-9H2
InChIKeyYPTNEBWJVKDLPD-UHFFFAOYSA-N
XLogP3.69
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.76
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone (CID 71792972) is 2-(2-chlorophenyl)-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone is O=C(Cc1ccccc1Cl)N1CCC(c2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is YPTNEBWJVKDLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O2/c17-12-4-2-1-3-11(12)9-13(24)23-7-5-10(6-8-23)14-21-22-15(25-14)16(18,19)20/h1-4,10H,5-9H2.
What are the key properties of 2-(2-chlorophenyl)-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?
2-(2-chlorophenyl)-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 373.76 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 71792972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).