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

C21H20Br2N4O2 — CID 43927358

IUPACN-(4-bromophenyl)-1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CCN(Cc2nc(-c3ccc(Br)cc3)no2)CC1
InChIInChI=1S/C21H20Br2N4O2/c22-16-3-1-14(2-4-16)20-25-19(29-26-20)13-27-11-9-15(10-12-27)21(28)24-18-7-5-17(23)6-8-18/h1-8,15H,9-13H2,(H,24,28)
InChIKeyFXNWGLDKCKEYEU-UHFFFAOYSA-N
MW520.23 g/mol
LogP5.11
Rot. Bonds5

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

N-(4-bromophenyl)-1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 43927358) has the molecular formula C21H20Br2N4O2 and a molecular weight of 520.23 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID43927358
Molecular FormulaC21H20Br2N4O2
Molecular Weight520.23 g/mol
Exact Mass518.00
IUPAC NameN-(4-bromophenyl)-1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CCN(Cc2nc(-c3ccc(Br)cc3)no2)CC1
InChIInChI=1S/C21H20Br2N4O2/c22-16-3-1-14(2-4-16)20-25-19(29-26-20)13-27-11-9-15(10-12-27)21(28)24-18-7-5-17(23)6-8-18/h1-8,15H,9-13H2,(H,24,28)
InChIKeyFXNWGLDKCKEYEU-UHFFFAOYSA-N
XLogP5.11
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.23
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38157029
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 38147330
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 38147247
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 38147267
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 38147688
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-diethylphenyl)piperidine-4-carboxamide
CID 38147572
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 26674950
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 38147243
N-(3-bromophenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38114825
N-(3-methylphenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38141561
N-(4-phenoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38114849
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 38157549

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (CID 43927358) is N-(4-bromophenyl)-1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is O=C(Nc1ccc(Br)cc1)C1CCN(Cc2nc(-c3ccc(Br)cc3)no2)CC1.
What is the InChIKey of N-(4-bromophenyl)-1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is FXNWGLDKCKEYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Br2N4O2/c22-16-3-1-14(2-4-16)20-25-19(29-26-20)13-27-11-9-15(10-12-27)21(28)24-18-7-5-17(23)6-8-18/h1-8,15H,9-13H2,(H,24,28).
What are the key properties of N-(4-bromophenyl)-1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
N-(4-bromophenyl)-1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 520.23 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 43927358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).