4-[6-methyl-2-[(2R)-1-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-2-yl]pyrimidin-4-yl]oxybenzamide

C26H32N6O3 — CID 125019852

About 4-[6-methyl-2-[(2R)-1-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-2-yl]pyrimidin-4-yl]oxybenzamide

4-[6-methyl-2-[(2R)-1-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-2-yl]pyrimidin-4-yl]oxybenzamide (PubChem CID 125019852) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is 4-[6-methyl-2-[(2R)-1-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-2-yl]pyrimidin-4-yl]oxybenzamide.

Molecular Properties

• Compound Name: 4-[6-methyl-2-[(2R)-1-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-2-yl]pyrimidin-4-yl]oxybenzamide
• PubChem CID: 125019852
• Molecular Formula: C26H32N6O3
• Molecular Weight: 476.58 g/mol
• Exact Mass: 476.25
• IUPAC Name: 4-[6-methyl-2-[(2R)-1-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-2-yl]pyrimidin-4-yl]oxybenzamide
• SMILES: Cc1cc(Oc2ccc(C(N)=O)cc2)nc([C@H]2CCCCN2C(=O)CCn2ccnc2C(C)C)n1
• InChI: InChI=1S/C26H32N6O3/c1-17(2)26-28-12-15-31(26)14-11-23(33)32-13-5-4-6-21(32)25-29-18(3)16-22(30-25)35-20-9-7-19(8-10-20)24(27)34/h7-10,12,15-17,21H,4-6,11,13-14H2,1-3H3,(H2,27,34)/t21-/m1/s1
• InChIKey: XYUUZMXVJAEHEY-OAQYLSRUSA-N
• XLogP: 4.14
• TPSA: 116.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.58
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[6-methyl-2-[(2R)-1-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-2-yl]pyrimidin-4-yl]oxybenzamide?

The IUPAC name of 4-[6-methyl-2-[(2R)-1-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-2-yl]pyrimidin-4-yl]oxybenzamide (CID 125019852) is 4-[6-methyl-2-[(2R)-1-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-2-yl]pyrimidin-4-yl]oxybenzamide.

What is the SMILES notation for 4-[6-methyl-2-[(2R)-1-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-2-yl]pyrimidin-4-yl]oxybenzamide?

The canonical SMILES for 4-[6-methyl-2-[(2R)-1-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-2-yl]pyrimidin-4-yl]oxybenzamide is Cc1cc(Oc2ccc(C(N)=O)cc2)nc([C@H]2CCCCN2C(=O)CCn2ccnc2C(C)C)n1.

What is the InChIKey of 4-[6-methyl-2-[(2R)-1-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-2-yl]pyrimidin-4-yl]oxybenzamide?

The InChIKey is XYUUZMXVJAEHEY-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-17(2)26-28-12-15-31(26)14-11-23(33)32-13-5-4-6-21(32)25-29-18(3)16-22(30-25)35-20-9-7-19(8-10-20)24(27)34/h7-10,12,15-17,21H,4-6,11,13-14H2,1-3H3,(H2,27,34)/t21-/m1/s1.

What are the key properties of 4-[6-methyl-2-[(2R)-1-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-2-yl]pyrimidin-4-yl]oxybenzamide?

4-[6-methyl-2-[(2R)-1-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-2-yl]pyrimidin-4-yl]oxybenzamide has a molecular weight of 476.58 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-methyl-2-[(2R)-1-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-2-yl]pyrimidin-4-yl]oxybenzamide is sourced from PubChem (CID 125019852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).