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

C25H29BrN4O4 — CID 43927565

IUPAC1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(2-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide
SMILESCOc1ccccc1OCC(C)NC(=O)C1CCN(Cc2nc(-c3ccc(Br)cc3)no2)CC1
InChIInChI=1S/C25H29BrN4O4/c1-17(16-33-22-6-4-3-5-21(22)32-2)27-25(31)19-11-13-30(14-12-19)15-23-28-24(29-34-23)18-7-9-20(26)10-8-18/h3-10,17,19H,11-16H2,1-2H3,(H,27,31)
InChIKeyHBSQCHAYFIFSNI-UHFFFAOYSA-N
MW529.44 g/mol
LogP4.30
Rot. Bonds9

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

1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(2-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide (PubChem CID 43927565) has the molecular formula C25H29BrN4O4 and a molecular weight of 529.44 g/mol. Its IUPAC name is 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(2-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(2-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide
PubChem CID43927565
Molecular FormulaC25H29BrN4O4
Molecular Weight529.44 g/mol
Exact Mass528.14
IUPAC Name1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(2-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide
SMILESCOc1ccccc1OCC(C)NC(=O)C1CCN(Cc2nc(-c3ccc(Br)cc3)no2)CC1
InChIInChI=1S/C25H29BrN4O4/c1-17(16-33-22-6-4-3-5-21(22)32-2)27-25(31)19-11-13-30(14-12-19)15-23-28-24(29-34-23)18-7-9-20(26)10-8-18/h3-10,17,19H,11-16H2,1-2H3,(H,27,31)
InChIKeyHBSQCHAYFIFSNI-UHFFFAOYSA-N
XLogP4.30
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide
CID 43927564
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-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 43927759
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-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 38147808
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylpropyl)piperidine-4-carboxamide
CID 43927484
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115680
N-[1-(2-methoxyphenoxy)propan-2-yl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929854
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylethyl)piperidine-4-carboxamide
CID 43927574
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-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 38150116
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 43933192

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(2-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(2-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide (CID 43927565) is 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(2-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(2-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(2-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide is COc1ccccc1OCC(C)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-(2-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide?
The InChIKey is HBSQCHAYFIFSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29BrN4O4/c1-17(16-33-22-6-4-3-5-21(22)32-2)27-25(31)19-11-13-30(14-12-19)15-23-28-24(29-34-23)18-7-9-20(26)10-8-18/h3-10,17,19H,11-16H2,1-2H3,(H,27,31).
What are the key properties of 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(2-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide?
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(2-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide has a molecular weight of 529.44 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 7 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-(2-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 43927565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).