N-(2,2,2-trifluoroethyl)-1-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide

C18H18F6N4O2 — CID 35173064

IUPACN-(2,2,2-trifluoroethyl)-1-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1
InChIInChI=1S/C18H18F6N4O2/c19-17(20,21)10-25-16(29)12-5-7-28(8-6-12)9-14-26-15(27-30-14)11-1-3-13(4-2-11)18(22,23)24/h1-4,12H,5-10H2,(H,25,29)
InChIKeyBXPZYBOGHMDZNH-UHFFFAOYSA-N
MW436.36 g/mol
LogP3.65
Rot. Bonds5

About N-(2,2,2-trifluoroethyl)-1-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide

N-(2,2,2-trifluoroethyl)-1-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 35173064) has the molecular formula C18H18F6N4O2 and a molecular weight of 436.36 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-1-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-1-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID35173064
Molecular FormulaC18H18F6N4O2
Molecular Weight436.36 g/mol
Exact Mass436.13
IUPAC NameN-(2,2,2-trifluoroethyl)-1-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1
InChIInChI=1S/C18H18F6N4O2/c19-17(20,21)10-25-16(29)12-5-7-28(8-6-12)9-14-26-15(27-30-14)11-1-3-13(4-2-11)18(22,23)24/h1-4,12H,5-10H2,(H,25,29)
InChIKeyBXPZYBOGHMDZNH-UHFFFAOYSA-N
XLogP3.65
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-1-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)-1-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (CID 35173064) is N-(2,2,2-trifluoroethyl)-1-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-1-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-1-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is O=C(NCC(F)(F)F)C1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-1-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is BXPZYBOGHMDZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F6N4O2/c19-17(20,21)10-25-16(29)12-5-7-28(8-6-12)9-14-26-15(27-30-14)11-1-3-13(4-2-11)18(22,23)24/h1-4,12H,5-10H2,(H,25,29).
What are the key properties of N-(2,2,2-trifluoroethyl)-1-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
N-(2,2,2-trifluoroethyl)-1-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 436.36 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-1-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 35173064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).