1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-2-one

C23H27N5O3 — CID 53040462

About 1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-2-one

1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-2-one (PubChem CID 53040462) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-2-one.

Molecular Properties

• Compound Name: 1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-2-one
• PubChem CID: 53040462
• Molecular Formula: C23H27N5O3
• Molecular Weight: 421.50 g/mol
• Exact Mass: 421.21
• IUPAC Name: 1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-2-one
• SMILES: Cc1ccccc1N1CCN(C(=O)Cn2cc(-c3nnc(C(C)C)o3)ccc2=O)CC1
• InChI: InChI=1S/C23H27N5O3/c1-16(2)22-24-25-23(31-22)18-8-9-20(29)28(14-18)15-21(30)27-12-10-26(11-13-27)19-7-5-4-6-17(19)3/h4-9,14,16H,10-13,15H2,1-3H3
• InChIKey: LKSWEOUUVZPKHY-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 84.47 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.50
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-2-one?

The IUPAC name of 1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-2-one (CID 53040462) is 1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-2-one.

What is the SMILES notation for 1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-2-one?

The canonical SMILES for 1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-2-one is Cc1ccccc1N1CCN(C(=O)Cn2cc(-c3nnc(C(C)C)o3)ccc2=O)CC1.

What is the InChIKey of 1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-2-one?

The InChIKey is LKSWEOUUVZPKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-16(2)22-24-25-23(31-22)18-8-9-20(29)28(14-18)15-21(30)27-12-10-26(11-13-27)19-7-5-4-6-17(19)3/h4-9,14,16H,10-13,15H2,1-3H3.

What are the key properties of 1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-2-one?

1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-2-one has a molecular weight of 421.50 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-2-one is sourced from PubChem (CID 53040462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).