N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide

C21H29N5O3 — CID 45193091

About N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide

N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide (PubChem CID 45193091) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
• PubChem CID: 45193091
• Molecular Formula: C21H29N5O3
• Molecular Weight: 399.50 g/mol
• Exact Mass: 399.23
• IUPAC Name: N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
• SMILES: CC(C)CCN1CCNC(=O)C1CC(=O)N(C)Cc1nnc(-c2ccccc2)o1
• InChI: InChI=1S/C21H29N5O3/c1-15(2)9-11-26-12-10-22-20(28)17(26)13-19(27)25(3)14-18-23-24-21(29-18)16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3,(H,22,28)
• InChIKey: WLSSLJRKIFMJEX-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 91.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.50
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?

The IUPAC name of N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide (CID 45193091) is N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide.

What is the SMILES notation for N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?

The canonical SMILES for N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide is CC(C)CCN1CCNC(=O)C1CC(=O)N(C)Cc1nnc(-c2ccccc2)o1.

What is the InChIKey of N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?

The InChIKey is WLSSLJRKIFMJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-15(2)9-11-26-12-10-22-20(28)17(26)13-19(27)25(3)14-18-23-24-21(29-18)16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3,(H,22,28).

What are the key properties of N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?

N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide has a molecular weight of 399.50 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 45193091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).