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

C21H20BrClN4O2 — CID 38115240

IUPACN-(4-bromo-3-chlorophenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)C1CCN(Cc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C21H20BrClN4O2/c22-17-7-6-16(12-18(17)23)24-21(28)15-8-10-27(11-9-15)13-19-25-20(26-29-19)14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H,24,28)
InChIKeyJTPWZKPCDKJWTM-UHFFFAOYSA-N
MW475.77 g/mol
LogP5.00
Rot. Bonds5

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

N-(4-bromo-3-chlorophenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 38115240) has the molecular formula C21H20BrClN4O2 and a molecular weight of 475.77 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID38115240
Molecular FormulaC21H20BrClN4O2
Molecular Weight475.77 g/mol
Exact Mass474.05
IUPAC NameN-(4-bromo-3-chlorophenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)C1CCN(Cc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C21H20BrClN4O2/c22-17-7-6-16(12-18(17)23)24-21(28)15-8-10-27(11-9-15)13-19-25-20(26-29-19)14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H,24,28)
InChIKeyJTPWZKPCDKJWTM-UHFFFAOYSA-N
XLogP5.00
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.77
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-bromo-3-chlorophenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide 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-(3-bromophenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38114825
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 38147267
N-(4-bromophenyl)-1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43927358
N-(4-phenoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38114849
N-(4-bromophenyl)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38157029
N-(3-chloro-4-methylphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38148617
N-(3-methylphenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38141561
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 26674950
N-(3-chlorophenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38141601
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 38157294
N-(3-chloro-4-methoxyphenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38151770
N-(3-acetylphenyl)-1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38146308

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (CID 38115240) is N-(4-bromo-3-chlorophenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is O=C(Nc1ccc(Br)c(Cl)c1)C1CCN(Cc2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is JTPWZKPCDKJWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrClN4O2/c22-17-7-6-16(12-18(17)23)24-21(28)15-8-10-27(11-9-15)13-19-25-20(26-29-19)14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H,24,28).
What are the key properties of N-(4-bromo-3-chlorophenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
N-(4-bromo-3-chlorophenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 475.77 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 38115240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).