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

C26H30BrN5O2 — CID 38147820

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

1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-4-carboxamide (PubChem CID 38147820) has the molecular formula C26H30BrN5O2 and a molecular weight of 524.46 g/mol. Its IUPAC name is 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-4-carboxamide
• PubChem CID: 38147820
• Molecular Formula: C26H30BrN5O2
• Molecular Weight: 524.46 g/mol
• Exact Mass: 523.16
• IUPAC Name: 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-4-carboxamide
• SMILES: O=C(NCCCN1CCc2ccccc21)C1CCN(Cc2nc(-c3ccc(Br)cc3)no2)CC1
• InChI: InChI=1S/C26H30BrN5O2/c27-22-8-6-20(7-9-22)25-29-24(34-30-25)18-31-15-10-21(11-16-31)26(33)28-13-3-14-32-17-12-19-4-1-2-5-23(19)32/h1-2,4-9,21H,3,10-18H2,(H,28,33)
• InChIKey: VWUPRFFBKQFGOK-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 74.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.46
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-4-carboxamide?

The IUPAC name of 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-4-carboxamide (CID 38147820) is 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-4-carboxamide is O=C(NCCCN1CCc2ccccc21)C1CCN(Cc2nc(-c3ccc(Br)cc3)no2)CC1.

What is the InChIKey of 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-4-carboxamide?

The InChIKey is VWUPRFFBKQFGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30BrN5O2/c27-22-8-6-20(7-9-22)25-29-24(34-30-25)18-31-15-10-21(11-16-31)26(33)28-13-3-14-32-17-12-19-4-1-2-5-23(19)32/h1-2,4-9,21H,3,10-18H2,(H,28,33).

What are the key properties of 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-4-carboxamide?

1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-4-carboxamide has a molecular weight of 524.46 g/mol, XLogP of 4.28, 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-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 38147820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).