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

C22H17F7N4O2 — CID 4258615

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C22H17F7N4O2/c23-16-5-3-12(4-6-16)18-31-19(35-32-18)13-2-1-7-33(11-13)20(34)30-17-9-14(21(24,25)26)8-15(10-17)22(27,28)29/h3-6,8-10,13H,1-2,7,11H2,(H,30,34)
InChIKeyFKHUYDPZKKXSRI-UHFFFAOYSA-N
MW502.39 g/mol
LogP6.32
Rot. Bonds3

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

N-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (PubChem CID 4258615) has the molecular formula C22H17F7N4O2 and a molecular weight of 502.39 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
PubChem CID4258615
Molecular FormulaC22H17F7N4O2
Molecular Weight502.39 g/mol
Exact Mass502.12
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C22H17F7N4O2/c23-16-5-3-12(4-6-16)18-31-19(35-32-18)13-2-1-7-33(11-13)20(34)30-17-9-14(21(24,25)26)8-15(10-17)22(27,28)29/h3-6,8-10,13H,1-2,7,11H2,(H,30,34)
InChIKeyFKHUYDPZKKXSRI-UHFFFAOYSA-N
XLogP6.32
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.39
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylpiperidine-1-carboxamide
CID 52511029
(3R)-N-(4-chlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 1454055
(3S)-N-(4-chlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 1454054
(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 52508463
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 4000498
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide
CID 47092633
(3R)-3-[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 95596844
(3S)-N-(3-cyanophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 51405847
(3R)-N-(2-chlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 1454056
[3,5-bis(trifluoromethyl)phenyl]-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3581674
[3,5-bis(trifluoromethyl)phenyl]-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 4045470
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 42760899

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (CID 4258615) is N-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The InChIKey is FKHUYDPZKKXSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F7N4O2/c23-16-5-3-12(4-6-16)18-31-19(35-32-18)13-2-1-7-33(11-13)20(34)30-17-9-14(21(24,25)26)8-15(10-17)22(27,28)29/h3-6,8-10,13H,1-2,7,11H2,(H,30,34).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide has a molecular weight of 502.39 g/mol, XLogP of 6.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 4258615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).