[1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone

C23H23BrN4O2 — CID 38147769

IUPAC[1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(C1CCN(Cc2nc(-c3ccc(Br)cc3)no2)CC1)N1CCc2ccccc21
InChIInChI=1S/C23H23BrN4O2/c24-19-7-5-17(6-8-19)22-25-21(30-26-22)15-27-12-9-18(10-13-27)23(29)28-14-11-16-3-1-2-4-20(16)28/h1-8,18H,9-15H2
InChIKeyPPELGXRTZBCBSN-UHFFFAOYSA-N
MW467.37 g/mol
LogP4.30
Rot. Bonds4

About [1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone

[1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 38147769) has the molecular formula C23H23BrN4O2 and a molecular weight of 467.37 g/mol. Its IUPAC name is [1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID38147769
Molecular FormulaC23H23BrN4O2
Molecular Weight467.37 g/mol
Exact Mass466.10
IUPAC Name[1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(C1CCN(Cc2nc(-c3ccc(Br)cc3)no2)CC1)N1CCc2ccccc21
InChIInChI=1S/C23H23BrN4O2/c24-19-7-5-17(6-8-19)22-25-21(30-26-22)15-27-12-9-18(10-13-27)23(29)28-14-11-16-3-1-2-4-20(16)28/h1-8,18H,9-15H2
InChIKeyPPELGXRTZBCBSN-UHFFFAOYSA-N
XLogP4.30
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.37
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroindol-1-yl-[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
CID 38152302
4-[1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 38147705
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-4-carboxamide
CID 38147820
[1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 43927379
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]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 38147632
(2-methyl-2,3-dihydroindol-1-yl)-[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
CID 43926951
[1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 38143818
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 38147243
[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 43927823
1-[1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43927052
N-(4-bromophenyl)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38157029

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone (CID 38147769) is [1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone is O=C(C1CCN(Cc2nc(-c3ccc(Br)cc3)no2)CC1)N1CCc2ccccc21.
What is the InChIKey of [1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is PPELGXRTZBCBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN4O2/c24-19-7-5-17(6-8-19)22-25-21(30-26-22)15-27-12-9-18(10-13-27)23(29)28-14-11-16-3-1-2-4-20(16)28/h1-8,18H,9-15H2.
What are the key properties of [1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone?
[1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 467.37 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 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]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 38147769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).