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

C24H27BrN4O2 — CID 43932387

IUPAC1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CCCN(Cc3nc(-c4cccc(Br)c4)no3)C2)cc1
InChIInChI=1S/C24H27BrN4O2/c1-16(2)17-8-10-21(11-9-17)26-24(30)19-6-4-12-29(14-19)15-22-27-23(28-31-22)18-5-3-7-20(25)13-18/h3,5,7-11,13,16,19H,4,6,12,14-15H2,1-2H3,(H,26,30)
InChIKeyWVSPYFFXLAYIMK-UHFFFAOYSA-N
MW483.41 g/mol
LogP5.47
Rot. Bonds6

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

1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide (PubChem CID 43932387) has the molecular formula C24H27BrN4O2 and a molecular weight of 483.41 g/mol. Its IUPAC name is 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
PubChem CID43932387
Molecular FormulaC24H27BrN4O2
Molecular Weight483.41 g/mol
Exact Mass482.13
IUPAC Name1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CCCN(Cc3nc(-c4cccc(Br)c4)no3)C2)cc1
InChIInChI=1S/C24H27BrN4O2/c1-16(2)17-8-10-21(11-9-17)26-24(30)19-6-4-12-29(14-19)15-22-27-23(28-31-22)18-5-3-7-20(25)13-18/h3,5,7-11,13,16,19H,4,6,12,14-15H2,1-2H3,(H,26,30)
InChIKeyWVSPYFFXLAYIMK-UHFFFAOYSA-N
XLogP5.47
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.41
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 43932538
N-(3-bromophenyl)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43934086
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylphenyl)piperidine-3-carboxamide
CID 43932378
N-(3-bromophenyl)-1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43932815
N-(4-acetamidophenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930027
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43932760
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide
CID 43932579
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43930060
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 43932724
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 43932725
N-(4-bromo-3-methylphenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929970
N-(3,4-dichlorophenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930051

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide (CID 43932387) is 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide is CC(C)c1ccc(NC(=O)C2CCCN(Cc3nc(-c4cccc(Br)c4)no3)C2)cc1.
What is the InChIKey of 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
The InChIKey is WVSPYFFXLAYIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN4O2/c1-16(2)17-8-10-21(11-9-17)26-24(30)19-6-4-12-29(14-19)15-22-27-23(28-31-22)18-5-3-7-20(25)13-18/h3,5,7-11,13,16,19H,4,6,12,14-15H2,1-2H3,(H,26,30).
What are the key properties of 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide has a molecular weight of 483.41 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43932387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).