3,5-dimethyl-1-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-amine

C18H23F3N4O — CID 155957007

IUPAC3,5-dimethyl-1-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-amine
SMILESCC1CN(C(C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC(C)C1N
InChIInChI=1S/C18H23F3N4O/c1-10-8-25(9-11(2)15(10)22)12(3)17-23-16(24-26-17)13-5-4-6-14(7-13)18(19,20)21/h4-7,10-12,15H,8-9,22H2,1-3H3
InChIKeyMZAVNOLSQIDNJK-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.73
Rot. Bonds3

About 3,5-dimethyl-1-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-amine

3,5-dimethyl-1-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-amine (PubChem CID 155957007) has the molecular formula C18H23F3N4O and a molecular weight of 368.40 g/mol. Its IUPAC name is 3,5-dimethyl-1-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-amine
PubChem CID155957007
Molecular FormulaC18H23F3N4O
Molecular Weight368.40 g/mol
Exact Mass368.18
IUPAC Name3,5-dimethyl-1-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-amine
SMILESCC1CN(C(C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC(C)C1N
InChIInChI=1S/C18H23F3N4O/c1-10-8-25(9-11(2)15(10)22)12(3)17-23-16(24-26-17)13-5-4-6-14(7-13)18(19,20)21/h4-7,10-12,15H,8-9,22H2,1-3H3
InChIKeyMZAVNOLSQIDNJK-UHFFFAOYSA-N
XLogP3.73
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-amine?
The IUPAC name of 3,5-dimethyl-1-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-amine (CID 155957007) is 3,5-dimethyl-1-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-amine.
What is the SMILES notation for 3,5-dimethyl-1-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-amine?
The canonical SMILES for 3,5-dimethyl-1-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-amine is CC1CN(C(C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC(C)C1N.
What is the InChIKey of 3,5-dimethyl-1-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-amine?
The InChIKey is MZAVNOLSQIDNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N4O/c1-10-8-25(9-11(2)15(10)22)12(3)17-23-16(24-26-17)13-5-4-6-14(7-13)18(19,20)21/h4-7,10-12,15H,8-9,22H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-amine?
3,5-dimethyl-1-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-amine has a molecular weight of 368.40 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-amine is sourced from PubChem (CID 155957007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).