1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-diethylphenyl)piperidine-4-carboxamide

C25H29BrN4O2 — CID 38147572

IUPAC1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-diethylphenyl)piperidine-4-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)C1CCN(Cc2nc(-c3ccc(Br)cc3)no2)CC1
InChIInChI=1S/C25H29BrN4O2/c1-3-17-6-5-7-18(4-2)23(17)28-25(31)20-12-14-30(15-13-20)16-22-27-24(29-32-22)19-8-10-21(26)11-9-19/h5-11,20H,3-4,12-16H2,1-2H3,(H,28,31)
InChIKeyVUWCKXYMYPUTGX-UHFFFAOYSA-N
MW497.44 g/mol
LogP5.47
Rot. Bonds7

About 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-diethylphenyl)piperidine-4-carboxamide

1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-diethylphenyl)piperidine-4-carboxamide (PubChem CID 38147572) has the molecular formula C25H29BrN4O2 and a molecular weight of 497.44 g/mol. Its IUPAC name is 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-diethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-diethylphenyl)piperidine-4-carboxamide
PubChem CID38147572
Molecular FormulaC25H29BrN4O2
Molecular Weight497.44 g/mol
Exact Mass496.15
IUPAC Name1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-diethylphenyl)piperidine-4-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)C1CCN(Cc2nc(-c3ccc(Br)cc3)no2)CC1
InChIInChI=1S/C25H29BrN4O2/c1-3-17-6-5-7-18(4-2)23(17)28-25(31)20-12-14-30(15-13-20)16-22-27-24(29-32-22)19-8-10-21(26)11-9-19/h5-11,20H,3-4,12-16H2,1-2H3,(H,28,31)
InChIKeyVUWCKXYMYPUTGX-UHFFFAOYSA-N
XLogP5.47
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.44
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 38147243
N-(4-bromophenyl)-1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43927358
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-(2-ethyl-6-methylphenyl)piperidine-3-carboxamide
CID 43932933
N-(4-bromophenyl)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38157029
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 38145900
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
methyl 2-[[1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]amino]benzoate
CID 38147291
N-(3-methylphenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38141561
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 38157005
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylpropyl)piperidine-4-carboxamide
CID 43927484

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-diethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-diethylphenyl)piperidine-4-carboxamide (CID 38147572) is 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-diethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-diethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-diethylphenyl)piperidine-4-carboxamide is CCc1cccc(CC)c1NC(=O)C1CCN(Cc2nc(-c3ccc(Br)cc3)no2)CC1.
What is the InChIKey of 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-diethylphenyl)piperidine-4-carboxamide?
The InChIKey is VUWCKXYMYPUTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29BrN4O2/c1-3-17-6-5-7-18(4-2)23(17)28-25(31)20-12-14-30(15-13-20)16-22-27-24(29-32-22)19-8-10-21(26)11-9-19/h5-11,20H,3-4,12-16H2,1-2H3,(H,28,31).
What are the key properties of 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-diethylphenyl)piperidine-4-carboxamide?
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-diethylphenyl)piperidine-4-carboxamide has a molecular weight of 497.44 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-diethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 38147572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).