1-[[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]piperidine-4-carboxamide

C29H44N4O2 — CID 71300337

About 1-[[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]piperidine-4-carboxamide

1-[[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]piperidine-4-carboxamide (PubChem CID 71300337) has the molecular formula C29H44N4O2 and a molecular weight of 480.70 g/mol. Its IUPAC name is 1-[[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]piperidine-4-carboxamide
• PubChem CID: 71300337
• Molecular Formula: C29H44N4O2
• Molecular Weight: 480.70 g/mol
• Exact Mass: 480.35
• IUPAC Name: 1-[[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]piperidine-4-carboxamide
• SMILES: Cc1ccc(-c2nc(CN3CCC(C(=O)NCCCN4C[C@H](C)C[C@H](C)C4)CC3)c(C)o2)cc1C
• InChI: InChI=1S/C29H44N4O2/c1-20-15-21(2)18-33(17-20)12-6-11-30-28(34)25-9-13-32(14-10-25)19-27-24(5)35-29(31-27)26-8-7-22(3)23(4)16-26/h7-8,16,20-21,25H,6,9-15,17-19H2,1-5H3,(H,30,34)/t20-,21+
• InChIKey: KKLNNJDXOKMMOH-OYRHEFFESA-N
• XLogP: 4.96
• TPSA: 61.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.70
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]piperidine-4-carboxamide?

The IUPAC name of 1-[[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]piperidine-4-carboxamide (CID 71300337) is 1-[[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]piperidine-4-carboxamide is Cc1ccc(-c2nc(CN3CCC(C(=O)NCCCN4C[C@H](C)C[C@H](C)C4)CC3)c(C)o2)cc1C.

What is the InChIKey of 1-[[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]piperidine-4-carboxamide?

The InChIKey is KKLNNJDXOKMMOH-OYRHEFFESA-N. The full InChI is InChI=1S/C29H44N4O2/c1-20-15-21(2)18-33(17-20)12-6-11-30-28(34)25-9-13-32(14-10-25)19-27-24(5)35-29(31-27)26-8-7-22(3)23(4)16-26/h7-8,16,20-21,25H,6,9-15,17-19H2,1-5H3,(H,30,34)/t20-,21+.

What are the key properties of 1-[[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]piperidine-4-carboxamide?

1-[[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]piperidine-4-carboxamide has a molecular weight of 480.70 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]piperidine-4-carboxamide is sourced from PubChem (CID 71300337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).