N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(2-fluoro-6-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide

C28H41FN4O2 — CID 71660618

About N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(2-fluoro-6-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide

N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(2-fluoro-6-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide (PubChem CID 71660618) has the molecular formula C28H41FN4O2 and a molecular weight of 484.66 g/mol. Its IUPAC name is N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(2-fluoro-6-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(2-fluoro-6-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
• PubChem CID: 71660618
• Molecular Formula: C28H41FN4O2
• Molecular Weight: 484.66 g/mol
• Exact Mass: 484.32
• IUPAC Name: N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(2-fluoro-6-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
• SMILES: Cc1cccc(F)c1-c1nc(CN2CCC(C(=O)NCCCN3C[C@H](C)C[C@H](C)C3)CC2)c(C)o1
• InChI: InChI=1S/C28H41FN4O2/c1-19-15-20(2)17-33(16-19)12-6-11-30-27(34)23-9-13-32(14-10-23)18-25-22(4)35-28(31-25)26-21(3)7-5-8-24(26)29/h5,7-8,19-20,23H,6,9-18H2,1-4H3,(H,30,34)/t19-,20+
• InChIKey: ZGBZOSFEJVDGGY-BGYRXZFFSA-N
• XLogP: 4.79
• 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	484.66
LogP ≤ 5	4.79
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 N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(2-fluoro-6-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide?

The IUPAC name of N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(2-fluoro-6-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide (CID 71660618) is N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(2-fluoro-6-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide.

What is the SMILES notation for N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(2-fluoro-6-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide?

The canonical SMILES for N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(2-fluoro-6-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide is Cc1cccc(F)c1-c1nc(CN2CCC(C(=O)NCCCN3C[C@H](C)C[C@H](C)C3)CC2)c(C)o1.

What is the InChIKey of N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(2-fluoro-6-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide?

The InChIKey is ZGBZOSFEJVDGGY-BGYRXZFFSA-N. The full InChI is InChI=1S/C28H41FN4O2/c1-19-15-20(2)17-33(16-19)12-6-11-30-27(34)23-9-13-32(14-10-23)18-25-22(4)35-28(31-25)26-21(3)7-5-8-24(26)29/h5,7-8,19-20,23H,6,9-18H2,1-4H3,(H,30,34)/t19-,20+.

What are the key properties of N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(2-fluoro-6-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide?

N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(2-fluoro-6-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide has a molecular weight of 484.66 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(2-fluoro-6-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 71660618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).