N-(2-chloro-5-cyanophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid

C26H20ClF3N6O4 — CID 44628524

IUPACN-(2-chloro-5-cyanophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESN#Cc1ccc(Cl)c(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H19ClN6O2.C2HF3O2/c25-18-7-5-15(14-26)13-21(18)28-24(32)31-11-9-17(10-12-31)23-29-22(30-33-23)20-8-6-16-3-1-2-4-19(16)27-20;3-2(4,5)1(6)7/h1-8,13,17H,9-12H2,(H,28,32);(H,6,7)
InChIKeyPOBZKPPKQPHMMG-UHFFFAOYSA-N
MW572.93 g/mol
LogP5.85
Rot. Bonds3

About N-(2-chloro-5-cyanophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid

N-(2-chloro-5-cyanophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 44628524) has the molecular formula C26H20ClF3N6O4 and a molecular weight of 572.93 g/mol. Its IUPAC name is N-(2-chloro-5-cyanophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(2-chloro-5-cyanophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID44628524
Molecular FormulaC26H20ClF3N6O4
Molecular Weight572.93 g/mol
Exact Mass572.12
IUPAC NameN-(2-chloro-5-cyanophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESN#Cc1ccc(Cl)c(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H19ClN6O2.C2HF3O2/c25-18-7-5-15(14-26)13-21(18)28-24(32)31-11-9-17(10-12-31)23-29-22(30-33-23)20-8-6-16-3-1-2-4-19(16)27-20;3-2(4,5)1(6)7/h1-8,13,17H,9-12H2,(H,28,32);(H,6,7)
InChIKeyPOBZKPPKQPHMMG-UHFFFAOYSA-N
XLogP5.85
TPSA145.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.93
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2-chloro-5-cyanophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(1,3-oxazol-5-yl)phenyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 44628527
N-(2-chlorophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide
CID 44629236
N-(2,4-dichlorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 5207523
N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 56661561
4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)piperidine-1-carboxamide
CID 56664981
2-(2,3-dihydro-1H-inden-2-yl)-1-[4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 44628150
N-(2-chlorophenyl)-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 44629230
N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 56675305
N-(2-bromophenyl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 42760920
N-(2-ethylphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 42760971
N-phenyl-4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 167839568
N-(1,3-benzodioxol-5-yl)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769336

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-cyanophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(2-chloro-5-cyanophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 44628524) is N-(2-chloro-5-cyanophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(2-chloro-5-cyanophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(2-chloro-5-cyanophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid is N#Cc1ccc(Cl)c(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(2-chloro-5-cyanophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is POBZKPPKQPHMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN6O2.C2HF3O2/c25-18-7-5-15(14-26)13-21(18)28-24(32)31-11-9-17(10-12-31)23-29-22(30-33-23)20-8-6-16-3-1-2-4-19(16)27-20;3-2(4,5)1(6)7/h1-8,13,17H,9-12H2,(H,28,32);(H,6,7).
What are the key properties of N-(2-chloro-5-cyanophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
N-(2-chloro-5-cyanophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 572.93 g/mol, XLogP of 5.85, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-cyanophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 44628524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).