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

C22H27F3N4O2 — CID 71793486

IUPAC1-(4-benzylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
SMILESO=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H27F3N4O2/c23-22(24,25)21-27-26-20(31-21)18-8-10-28(11-9-18)15-19(30)29-12-6-17(7-13-29)14-16-4-2-1-3-5-16/h1-5,17-18H,6-15H2
InChIKeyKZXMRQQJOALBRW-UHFFFAOYSA-N
MW436.48 g/mol
LogP3.75
Rot. Bonds5

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

1-(4-benzylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 71793486) has the molecular formula C22H27F3N4O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
PubChem CID71793486
Molecular FormulaC22H27F3N4O2
Molecular Weight436.48 g/mol
Exact Mass436.21
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
SMILESO=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H27F3N4O2/c23-22(24,25)21-27-26-20(31-21)18-8-10-28(11-9-18)15-19(30)29-12-6-17(7-13-29)14-16-4-2-1-3-5-16/h1-5,17-18H,6-15H2
InChIKeyKZXMRQQJOALBRW-UHFFFAOYSA-N
XLogP3.75
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone (CID 71793486) is 1-(4-benzylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone is O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is KZXMRQQJOALBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N4O2/c23-22(24,25)21-27-26-20(31-21)18-8-10-28(11-9-18)15-19(30)29-12-6-17(7-13-29)14-16-4-2-1-3-5-16/h1-5,17-18H,6-15H2.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?
1-(4-benzylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 436.48 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 71793486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).