N-(2-methoxyethyl)-N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide

C26H36N6O5 — CID 121494190

About N-(2-methoxyethyl)-N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide

N-(2-methoxyethyl)-N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide (PubChem CID 121494190) has the molecular formula C26H36N6O5 and a molecular weight of 512.61 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide
• PubChem CID: 121494190
• Molecular Formula: C26H36N6O5
• Molecular Weight: 512.61 g/mol
• Exact Mass: 512.27
• IUPAC Name: N-(2-methoxyethyl)-N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide
• SMILES: COCCN(CC1NC(=O)C2COCCC2N1)C(=O)CN1CCC(c2nnc(-c3ccccc3)o2)CC1
• InChI: InChI=1S/C26H36N6O5/c1-35-14-12-32(15-22-27-21-9-13-36-17-20(21)24(34)28-22)23(33)16-31-10-7-19(8-11-31)26-30-29-25(37-26)18-5-3-2-4-6-18/h2-6,19-22,27H,7-17H2,1H3,(H,28,34)
• InChIKey: BDZDJDWFBFXECP-UHFFFAOYSA-N
• XLogP: 0.84
• TPSA: 122.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.61
LogP ≤ 5	0.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide?

The IUPAC name of N-(2-methoxyethyl)-N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide (CID 121494190) is N-(2-methoxyethyl)-N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide.

What is the SMILES notation for N-(2-methoxyethyl)-N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide?

The canonical SMILES for N-(2-methoxyethyl)-N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide is COCCN(CC1NC(=O)C2COCCC2N1)C(=O)CN1CCC(c2nnc(-c3ccccc3)o2)CC1.

What is the InChIKey of N-(2-methoxyethyl)-N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide?

The InChIKey is BDZDJDWFBFXECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O5/c1-35-14-12-32(15-22-27-21-9-13-36-17-20(21)24(34)28-22)23(33)16-31-10-7-19(8-11-31)26-30-29-25(37-26)18-5-3-2-4-6-18/h2-6,19-22,27H,7-17H2,1H3,(H,28,34).

What are the key properties of N-(2-methoxyethyl)-N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide?

N-(2-methoxyethyl)-N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide has a molecular weight of 512.61 g/mol, XLogP of 0.84, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 121494190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).