1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(3-methoxypropylcarbamoyl)phenyl]piperidine-3-carboxamide

C27H33N5O5 — CID 43930918

About 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(3-methoxypropylcarbamoyl)phenyl]piperidine-3-carboxamide

1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(3-methoxypropylcarbamoyl)phenyl]piperidine-3-carboxamide (PubChem CID 43930918) has the molecular formula C27H33N5O5 and a molecular weight of 507.59 g/mol. Its IUPAC name is 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(3-methoxypropylcarbamoyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(3-methoxypropylcarbamoyl)phenyl]piperidine-3-carboxamide
• PubChem CID: 43930918
• Molecular Formula: C27H33N5O5
• Molecular Weight: 507.59 g/mol
• Exact Mass: 507.25
• IUPAC Name: 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(3-methoxypropylcarbamoyl)phenyl]piperidine-3-carboxamide
• SMILES: COCCCNC(=O)c1ccccc1NC(=O)C1CCCN(Cc2nc(-c3ccc(OC)cc3)no2)C1
• InChI: InChI=1S/C27H33N5O5/c1-35-16-6-14-28-27(34)22-8-3-4-9-23(22)29-26(33)20-7-5-15-32(17-20)18-24-30-25(31-37-24)19-10-12-21(36-2)13-11-19/h3-4,8-13,20H,5-7,14-18H2,1-2H3,(H,28,34)(H,29,33)
• InChIKey: KOOWOTXNSKKUEQ-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 118.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.59
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(3-methoxypropylcarbamoyl)phenyl]piperidine-3-carboxamide?

The IUPAC name of 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(3-methoxypropylcarbamoyl)phenyl]piperidine-3-carboxamide (CID 43930918) is 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(3-methoxypropylcarbamoyl)phenyl]piperidine-3-carboxamide.

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

The canonical SMILES for 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(3-methoxypropylcarbamoyl)phenyl]piperidine-3-carboxamide is COCCCNC(=O)c1ccccc1NC(=O)C1CCCN(Cc2nc(-c3ccc(OC)cc3)no2)C1.

What is the InChIKey of 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(3-methoxypropylcarbamoyl)phenyl]piperidine-3-carboxamide?

The InChIKey is KOOWOTXNSKKUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O5/c1-35-16-6-14-28-27(34)22-8-3-4-9-23(22)29-26(33)20-7-5-15-32(17-20)18-24-30-25(31-37-24)19-10-12-21(36-2)13-11-19/h3-4,8-13,20H,5-7,14-18H2,1-2H3,(H,28,34)(H,29,33).

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

1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(3-methoxypropylcarbamoyl)phenyl]piperidine-3-carboxamide has a molecular weight of 507.59 g/mol, XLogP of 3.36, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(3-methoxypropylcarbamoyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 43930918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).