1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-piperidin-1-yl-2-(piperidin-1-ylmethyl)propyl]piperidine-4-carboxamide

C32H49N5O2 — CID 143974460

About 1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-piperidin-1-yl-2-(piperidin-1-ylmethyl)propyl]piperidine-4-carboxamide

1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-piperidin-1-yl-2-(piperidin-1-ylmethyl)propyl]piperidine-4-carboxamide (PubChem CID 143974460) has the molecular formula C32H49N5O2 and a molecular weight of 535.78 g/mol. Its IUPAC name is 1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-piperidin-1-yl-2-(piperidin-1-ylmethyl)propyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-piperidin-1-yl-2-(piperidin-1-ylmethyl)propyl]piperidine-4-carboxamide
• PubChem CID: 143974460
• Molecular Formula: C32H49N5O2
• Molecular Weight: 535.78 g/mol
• Exact Mass: 535.39
• IUPAC Name: 1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-piperidin-1-yl-2-(piperidin-1-ylmethyl)propyl]piperidine-4-carboxamide
• SMILES: Cc1ccc(-c2nc(CN3CCC(C(=O)NCC(CN4CCCCC4)CN4CCCCC4)CC3)c(C)o2)cc1
• InChI: InChI=1S/C32H49N5O2/c1-25-9-11-29(12-10-25)32-34-30(26(2)39-32)24-37-19-13-28(14-20-37)31(38)33-21-27(22-35-15-5-3-6-16-35)23-36-17-7-4-8-18-36/h9-12,27-28H,3-8,13-24H2,1-2H3,(H,33,38)
• InChIKey: LFZWAMQKGSFOLS-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 64.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.78
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-piperidin-1-yl-2-(piperidin-1-ylmethyl)propyl]piperidine-4-carboxamide?

The IUPAC name of 1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-piperidin-1-yl-2-(piperidin-1-ylmethyl)propyl]piperidine-4-carboxamide (CID 143974460) is 1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-piperidin-1-yl-2-(piperidin-1-ylmethyl)propyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-piperidin-1-yl-2-(piperidin-1-ylmethyl)propyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-piperidin-1-yl-2-(piperidin-1-ylmethyl)propyl]piperidine-4-carboxamide is Cc1ccc(-c2nc(CN3CCC(C(=O)NCC(CN4CCCCC4)CN4CCCCC4)CC3)c(C)o2)cc1.

What is the InChIKey of 1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-piperidin-1-yl-2-(piperidin-1-ylmethyl)propyl]piperidine-4-carboxamide?

The InChIKey is LFZWAMQKGSFOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H49N5O2/c1-25-9-11-29(12-10-25)32-34-30(26(2)39-32)24-37-19-13-28(14-20-37)31(38)33-21-27(22-35-15-5-3-6-16-35)23-36-17-7-4-8-18-36/h9-12,27-28H,3-8,13-24H2,1-2H3,(H,33,38).

What are the key properties of 1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-piperidin-1-yl-2-(piperidin-1-ylmethyl)propyl]piperidine-4-carboxamide?

1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-piperidin-1-yl-2-(piperidin-1-ylmethyl)propyl]piperidine-4-carboxamide has a molecular weight of 535.78 g/mol, XLogP of 4.87, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-piperidin-1-yl-2-(piperidin-1-ylmethyl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 143974460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).