8-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C17H32N4O2 — CID 70783416

About 8-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70783416) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 8-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 8-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 70783416
• Molecular Formula: C17H32N4O2
• Molecular Weight: 324.47 g/mol
• Exact Mass: 324.25
• IUPAC Name: 8-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• SMILES: CC(C)N1CCN(CCN2CC3(CCN(C)CC3)OC2=O)CC1
• InChI: InChI=1S/C17H32N4O2/c1-15(2)20-11-8-19(9-12-20)10-13-21-14-17(23-16(21)22)4-6-18(3)7-5-17/h15H,4-14H2,1-3H3
• InChIKey: QUCXAXKDAXAMAO-UHFFFAOYSA-N
• XLogP: 0.93
• TPSA: 39.26 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.47
LogP ≤ 5	0.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The IUPAC name of 8-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70783416) is 8-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 8-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 8-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC(C)N1CCN(CCN2CC3(CCN(C)CC3)OC2=O)CC1.

What is the InChIKey of 8-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The InChIKey is QUCXAXKDAXAMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-15(2)20-11-8-19(9-12-20)10-13-21-14-17(23-16(21)22)4-6-18(3)7-5-17/h15H,4-14H2,1-3H3.

What are the key properties of 8-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

8-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 324.47 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70783416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).