1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide

C29H28BrN5O2 — CID 43932579

About 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide

1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide (PubChem CID 43932579) has the molecular formula C29H28BrN5O2 and a molecular weight of 558.48 g/mol. Its IUPAC name is 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide
• PubChem CID: 43932579
• Molecular Formula: C29H28BrN5O2
• Molecular Weight: 558.48 g/mol
• Exact Mass: 557.14
• IUPAC Name: 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide
• SMILES: CCn1c2ccccc2c2cc(NC(=O)C3CCCN(Cc4nc(-c5cccc(Br)c5)no4)C3)ccc21
• InChI: InChI=1S/C29H28BrN5O2/c1-2-35-25-11-4-3-10-23(25)24-16-22(12-13-26(24)35)31-29(36)20-8-6-14-34(17-20)18-27-32-28(33-37-27)19-7-5-9-21(30)15-19/h3-5,7,9-13,15-16,20H,2,6,8,14,17-18H2,1H3,(H,31,36)
• InChIKey: GVEZKXXISXQERS-UHFFFAOYSA-N
• XLogP: 6.48
• TPSA: 76.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.48
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide?

The IUPAC name of 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide (CID 43932579) is 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide.

What is the SMILES notation for 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide?

The canonical SMILES for 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide is CCn1c2ccccc2c2cc(NC(=O)C3CCCN(Cc4nc(-c5cccc(Br)c5)no4)C3)ccc21.

What is the InChIKey of 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide?

The InChIKey is GVEZKXXISXQERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28BrN5O2/c1-2-35-25-11-4-3-10-23(25)24-16-22(12-13-26(24)35)31-29(36)20-8-6-14-34(17-20)18-27-32-28(33-37-27)19-7-5-9-21(30)15-19/h3-5,7,9-13,15-16,20H,2,6,8,14,17-18H2,1H3,(H,31,36).

What are the key properties of 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide?

1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide has a molecular weight of 558.48 g/mol, XLogP of 6.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 43932579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).