1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide

C29H38N4O3 — CID 43932235

About 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide

1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 43932235) has the molecular formula C29H38N4O3 and a molecular weight of 490.65 g/mol. Its IUPAC name is 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
• PubChem CID: 43932235
• Molecular Formula: C29H38N4O3
• Molecular Weight: 490.65 g/mol
• Exact Mass: 490.29
• IUPAC Name: 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
• SMILES: CC(C)Oc1ccc(CNC(=O)C2CCCN(Cc3nc(-c4ccc(C(C)(C)C)cc4)no3)C2)cc1
• InChI: InChI=1S/C29H38N4O3/c1-20(2)35-25-14-8-21(9-15-25)17-30-28(34)23-7-6-16-33(18-23)19-26-31-27(32-36-26)22-10-12-24(13-11-22)29(3,4)5/h8-15,20,23H,6-7,16-19H2,1-5H3,(H,30,34)
• InChIKey: ZVZMXSZCXJKTLC-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.65
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide?

The IUPAC name of 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide (CID 43932235) is 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide?

The canonical SMILES for 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide is CC(C)Oc1ccc(CNC(=O)C2CCCN(Cc3nc(-c4ccc(C(C)(C)C)cc4)no3)C2)cc1.

What is the InChIKey of 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide?

The InChIKey is ZVZMXSZCXJKTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O3/c1-20(2)35-25-14-8-21(9-15-25)17-30-28(34)23-7-6-16-33(18-23)19-26-31-27(32-36-26)22-10-12-24(13-11-22)29(3,4)5/h8-15,20,23H,6-7,16-19H2,1-5H3,(H,30,34).

What are the key properties of 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide?

1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 490.65 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43932235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).