2-methyl-1-[2-[5-[1-(2-pyridin-2-yloxyacetyl)piperidin-4-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one

C23H31N5O4 — CID 127244484

About 2-methyl-1-[2-[5-[1-(2-pyridin-2-yloxyacetyl)piperidin-4-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one

2-methyl-1-[2-[5-[1-(2-pyridin-2-yloxyacetyl)piperidin-4-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 127244484) has the molecular formula C23H31N5O4 and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-methyl-1-[2-[5-[1-(2-pyridin-2-yloxyacetyl)piperidin-4-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 2-methyl-1-[2-[5-[1-(2-pyridin-2-yloxyacetyl)piperidin-4-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
• PubChem CID: 127244484
• Molecular Formula: C23H31N5O4
• Molecular Weight: 441.53 g/mol
• Exact Mass: 441.24
• IUPAC Name: 2-methyl-1-[2-[5-[1-(2-pyridin-2-yloxyacetyl)piperidin-4-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
• SMILES: CC(C)C(=O)N1CCCCC1c1nnc(C2CCN(C(=O)COc3ccccn3)CC2)o1
• InChI: InChI=1S/C23H31N5O4/c1-16(2)23(30)28-12-6-4-7-18(28)22-26-25-21(32-22)17-9-13-27(14-10-17)20(29)15-31-19-8-3-5-11-24-19/h3,5,8,11,16-18H,4,6-7,9-10,12-15H2,1-2H3
• InChIKey: GFWLINGUZNDXSA-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 101.66 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.53
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[5-[1-(2-pyridin-2-yloxyacetyl)piperidin-4-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one?

The IUPAC name of 2-methyl-1-[2-[5-[1-(2-pyridin-2-yloxyacetyl)piperidin-4-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one (CID 127244484) is 2-methyl-1-[2-[5-[1-(2-pyridin-2-yloxyacetyl)piperidin-4-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one.

What is the SMILES notation for 2-methyl-1-[2-[5-[1-(2-pyridin-2-yloxyacetyl)piperidin-4-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one?

The canonical SMILES for 2-methyl-1-[2-[5-[1-(2-pyridin-2-yloxyacetyl)piperidin-4-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one is CC(C)C(=O)N1CCCCC1c1nnc(C2CCN(C(=O)COc3ccccn3)CC2)o1.

What is the InChIKey of 2-methyl-1-[2-[5-[1-(2-pyridin-2-yloxyacetyl)piperidin-4-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one?

The InChIKey is GFWLINGUZNDXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O4/c1-16(2)23(30)28-12-6-4-7-18(28)22-26-25-21(32-22)17-9-13-27(14-10-17)20(29)15-31-19-8-3-5-11-24-19/h3,5,8,11,16-18H,4,6-7,9-10,12-15H2,1-2H3.

What are the key properties of 2-methyl-1-[2-[5-[1-(2-pyridin-2-yloxyacetyl)piperidin-4-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one?

2-methyl-1-[2-[5-[1-(2-pyridin-2-yloxyacetyl)piperidin-4-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 441.53 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1-[2-[5-[1-(2-pyridin-2-yloxyacetyl)piperidin-4-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 127244484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).