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

C24H20F3N5O2 — CID 56682552

IUPAC4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C24H20F3N5O2/c25-24(26,27)17-6-2-4-8-19(17)29-23(33)32-13-11-16(12-14-32)22-30-21(31-34-22)20-10-9-15-5-1-3-7-18(15)28-20/h1-10,16H,11-14H2,(H,29,33)
InChIKeyOUSXEGQSWKXYRY-UHFFFAOYSA-N
MW467.45 g/mol
LogP5.72
Rot. Bonds3

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

4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 56682552) has the molecular formula C24H20F3N5O2 and a molecular weight of 467.45 g/mol. Its IUPAC name is 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID56682552
Molecular FormulaC24H20F3N5O2
Molecular Weight467.45 g/mol
Exact Mass467.16
IUPAC Name4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C24H20F3N5O2/c25-24(26,27)17-6-2-4-8-19(17)29-23(33)32-13-11-16(12-14-32)22-30-21(31-34-22)20-10-9-15-5-1-3-7-18(15)28-20/h1-10,16H,11-14H2,(H,29,33)
InChIKeyOUSXEGQSWKXYRY-UHFFFAOYSA-N
XLogP5.72
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.45
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 56682552) is 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide is O=C(Nc1ccccc1C(F)(F)F)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1.
What is the InChIKey of 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is OUSXEGQSWKXYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O2/c25-24(26,27)17-6-2-4-8-19(17)29-23(33)32-13-11-16(12-14-32)22-30-21(31-34-22)20-10-9-15-5-1-3-7-18(15)28-20/h1-10,16H,11-14H2,(H,29,33).
What are the key properties of 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 467.45 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 56682552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).