1,3-benzodioxol-5-yl-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone

C18H22N4O4 — CID 110395906

About 1,3-benzodioxol-5-yl-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone

1,3-benzodioxol-5-yl-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone (PubChem CID 110395906) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: 1,3-benzodioxol-5-yl-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
• PubChem CID: 110395906
• Molecular Formula: C18H22N4O4
• Molecular Weight: 358.40 g/mol
• Exact Mass: 358.16
• IUPAC Name: 1,3-benzodioxol-5-yl-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
• SMILES: CC(C)c1nnc(CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)o1
• InChI: InChI=1S/C18H22N4O4/c1-12(2)17-20-19-16(26-17)10-21-5-7-22(8-6-21)18(23)13-3-4-14-15(9-13)25-11-24-14/h3-4,9,12H,5-8,10-11H2,1-2H3
• InChIKey: KZKXCUJDOGKOAD-UHFFFAOYSA-N
• XLogP: 1.88
• TPSA: 80.93 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.40
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone?

The IUPAC name of 1,3-benzodioxol-5-yl-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone (CID 110395906) is 1,3-benzodioxol-5-yl-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone.

What is the SMILES notation for 1,3-benzodioxol-5-yl-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone?

The canonical SMILES for 1,3-benzodioxol-5-yl-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone is CC(C)c1nnc(CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)o1.

What is the InChIKey of 1,3-benzodioxol-5-yl-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone?

The InChIKey is KZKXCUJDOGKOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-12(2)17-20-19-16(26-17)10-21-5-7-22(8-6-21)18(23)13-3-4-14-15(9-13)25-11-24-14/h3-4,9,12H,5-8,10-11H2,1-2H3.

What are the key properties of 1,3-benzodioxol-5-yl-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone?

1,3-benzodioxol-5-yl-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 358.40 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-benzodioxol-5-yl-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 110395906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).