(3R,5R)-5-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide

C24H28N4O3 — CID 54581648

About (3R,5R)-5-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide

(3R,5R)-5-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide (PubChem CID 54581648) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is (3R,5R)-5-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R,5R)-5-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
• PubChem CID: 54581648
• Molecular Formula: C24H28N4O3
• Molecular Weight: 420.51 g/mol
• Exact Mass: 420.22
• IUPAC Name: (3R,5R)-5-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
• SMILES: Cc1cccc(CNC(=O)[C@@H]2C[C@@H](O)CN(Cc3nc(-c4ccccc4)oc3C)C2)n1
• InChI: InChI=1S/C24H28N4O3/c1-16-7-6-10-20(26-16)12-25-23(30)19-11-21(29)14-28(13-19)15-22-17(2)31-24(27-22)18-8-4-3-5-9-18/h3-10,19,21,29H,11-15H2,1-2H3,(H,25,30)/t19-,21-/m1/s1
• InChIKey: HNRIDPULJBTXKM-TZIWHRDSSA-N
• XLogP: 2.85
• TPSA: 91.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.51
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide?

The IUPAC name of (3R,5R)-5-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide (CID 54581648) is (3R,5R)-5-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for (3R,5R)-5-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide?

The canonical SMILES for (3R,5R)-5-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide is Cc1cccc(CNC(=O)[C@@H]2C[C@@H](O)CN(Cc3nc(-c4ccccc4)oc3C)C2)n1.

What is the InChIKey of (3R,5R)-5-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide?

The InChIKey is HNRIDPULJBTXKM-TZIWHRDSSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-16-7-6-10-20(26-16)12-25-23(30)19-11-21(29)14-28(13-19)15-22-17(2)31-24(27-22)18-8-4-3-5-9-18/h3-10,19,21,29H,11-15H2,1-2H3,(H,25,30)/t19-,21-/m1/s1.

What are the key properties of (3R,5R)-5-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide?

(3R,5R)-5-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,5R)-5-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 54581648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).