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

C27H39FN4O2 — CID 72793928

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

N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide (PubChem CID 72793928) has the molecular formula C27H39FN4O2 and a molecular weight of 470.63 g/mol. Its IUPAC name is N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(4-fluoro-3-methylphenyl)-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-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
• PubChem CID: 72793928
• Molecular Formula: C27H39FN4O2
• Molecular Weight: 470.63 g/mol
• Exact Mass: 470.31
• IUPAC Name: N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
• SMILES: Cc1cc(-c2nc(CN3CCC(C(=O)NCCCN4C[C@H](C)C[C@H](C)C4)CC3)co2)ccc1F
• InChI: InChI=1S/C27H39FN4O2/c1-19-13-20(2)16-32(15-19)10-4-9-29-26(33)22-7-11-31(12-8-22)17-24-18-34-27(30-24)23-5-6-25(28)21(3)14-23/h5-6,14,18-20,22H,4,7-13,15-17H2,1-3H3,(H,29,33)/t19-,20+
• InChIKey: GUCPCTHHCYQSTE-BGYRXZFFSA-N
• XLogP: 4.49
• TPSA: 61.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.63
LogP ≤ 5	4.49
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-(4-fluoro-3-methylphenyl)-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-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide (CID 72793928) is N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(4-fluoro-3-methylphenyl)-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-(4-fluoro-3-methylphenyl)-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-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide is Cc1cc(-c2nc(CN3CCC(C(=O)NCCCN4C[C@H](C)C[C@H](C)C4)CC3)co2)ccc1F.

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

The InChIKey is GUCPCTHHCYQSTE-BGYRXZFFSA-N. The full InChI is InChI=1S/C27H39FN4O2/c1-19-13-20(2)16-32(15-19)10-4-9-29-26(33)22-7-11-31(12-8-22)17-24-18-34-27(30-24)23-5-6-25(28)21(3)14-23/h5-6,14,18-20,22H,4,7-13,15-17H2,1-3H3,(H,29,33)/t19-,20+.

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

N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide has a molecular weight of 470.63 g/mol, XLogP of 4.49, 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-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 72793928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).