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

C24H27BrN4O3 — CID 43927564

IUPAC1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide
SMILESCC(COc1ccccc1)NC(=O)C1CCN(Cc2nc(-c3ccc(Br)cc3)no2)CC1
InChIInChI=1S/C24H27BrN4O3/c1-17(16-31-21-5-3-2-4-6-21)26-24(30)19-11-13-29(14-12-19)15-22-27-23(28-32-22)18-7-9-20(25)10-8-18/h2-10,17,19H,11-16H2,1H3,(H,26,30)
InChIKeyFUDYIOMIEJEUQP-UHFFFAOYSA-N
MW499.41 g/mol
LogP4.29
Rot. Bonds8

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

1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide (PubChem CID 43927564) has the molecular formula C24H27BrN4O3 and a molecular weight of 499.41 g/mol. Its IUPAC name is 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide
PubChem CID43927564
Molecular FormulaC24H27BrN4O3
Molecular Weight499.41 g/mol
Exact Mass498.13
IUPAC Name1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide
SMILESCC(COc1ccccc1)NC(=O)C1CCN(Cc2nc(-c3ccc(Br)cc3)no2)CC1
InChIInChI=1S/C24H27BrN4O3/c1-17(16-31-21-5-3-2-4-6-21)26-24(30)19-11-13-29(14-12-19)15-22-27-23(28-32-22)18-7-9-20(25)10-8-18/h2-10,17,19H,11-16H2,1H3,(H,26,30)
InChIKeyFUDYIOMIEJEUQP-UHFFFAOYSA-N
XLogP4.29
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 43927514
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(2-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 43927565
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 43927063
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-3-carboxamide
CID 43931125
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide
CID 43928593
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylpropyl)piperidine-4-carboxamide
CID 43927484
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 43927759
N-[1-(4-methoxyphenoxy)propan-2-yl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43926786
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 43933192
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylethyl)piperidine-4-carboxamide
CID 43927574
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 43927418
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 38147688

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide (CID 43927564) is 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide is CC(COc1ccccc1)NC(=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-(1-phenoxypropan-2-yl)piperidine-4-carboxamide?
The InChIKey is FUDYIOMIEJEUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN4O3/c1-17(16-31-21-5-3-2-4-6-21)26-24(30)19-11-13-29(14-12-19)15-22-27-23(28-32-22)18-7-9-20(25)10-8-18/h2-10,17,19H,11-16H2,1H3,(H,26,30).
What are the key properties of 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide?
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide has a molecular weight of 499.41 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 43927564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).