8-ethyl-3-[2-[4-(4-methyl-2-morpholin-4-ylphenyl)piperazin-1-yl]ethyl]-2-oxa-8-azaspiro[4.5]decan-1-one

C27H42N4O3 — CID 160614113

About 8-ethyl-3-[2-[4-(4-methyl-2-morpholin-4-ylphenyl)piperazin-1-yl]ethyl]-2-oxa-8-azaspiro[4.5]decan-1-one

8-ethyl-3-[2-[4-(4-methyl-2-morpholin-4-ylphenyl)piperazin-1-yl]ethyl]-2-oxa-8-azaspiro[4.5]decan-1-one (PubChem CID 160614113) has the molecular formula C27H42N4O3 and a molecular weight of 470.66 g/mol. Its IUPAC name is 8-ethyl-3-[2-[4-(4-methyl-2-morpholin-4-ylphenyl)piperazin-1-yl]ethyl]-2-oxa-8-azaspiro[4.5]decan-1-one.

Molecular Properties

• Compound Name: 8-ethyl-3-[2-[4-(4-methyl-2-morpholin-4-ylphenyl)piperazin-1-yl]ethyl]-2-oxa-8-azaspiro[4.5]decan-1-one
• PubChem CID: 160614113
• Molecular Formula: C27H42N4O3
• Molecular Weight: 470.66 g/mol
• Exact Mass: 470.33
• IUPAC Name: 8-ethyl-3-[2-[4-(4-methyl-2-morpholin-4-ylphenyl)piperazin-1-yl]ethyl]-2-oxa-8-azaspiro[4.5]decan-1-one
• SMILES: CCN1CCC2(CC1)CC(CCN1CCN(c3ccc(C)cc3N3CCOCC3)CC1)OC2=O
• InChI: InChI=1S/C27H42N4O3/c1-3-28-10-7-27(8-11-28)21-23(34-26(27)32)6-9-29-12-14-30(15-13-29)24-5-4-22(2)20-25(24)31-16-18-33-19-17-31/h4-5,20,23H,3,6-19,21H2,1-2H3
• InChIKey: RFWBGJZDVLGOGU-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 48.49 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.66
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-[2-[4-(4-methyl-2-morpholin-4-ylphenyl)piperazin-1-yl]ethyl]-2-oxa-8-azaspiro[4.5]decan-1-one?

The IUPAC name of 8-ethyl-3-[2-[4-(4-methyl-2-morpholin-4-ylphenyl)piperazin-1-yl]ethyl]-2-oxa-8-azaspiro[4.5]decan-1-one (CID 160614113) is 8-ethyl-3-[2-[4-(4-methyl-2-morpholin-4-ylphenyl)piperazin-1-yl]ethyl]-2-oxa-8-azaspiro[4.5]decan-1-one.

What is the SMILES notation for 8-ethyl-3-[2-[4-(4-methyl-2-morpholin-4-ylphenyl)piperazin-1-yl]ethyl]-2-oxa-8-azaspiro[4.5]decan-1-one?

The canonical SMILES for 8-ethyl-3-[2-[4-(4-methyl-2-morpholin-4-ylphenyl)piperazin-1-yl]ethyl]-2-oxa-8-azaspiro[4.5]decan-1-one is CCN1CCC2(CC1)CC(CCN1CCN(c3ccc(C)cc3N3CCOCC3)CC1)OC2=O.

What is the InChIKey of 8-ethyl-3-[2-[4-(4-methyl-2-morpholin-4-ylphenyl)piperazin-1-yl]ethyl]-2-oxa-8-azaspiro[4.5]decan-1-one?

The InChIKey is RFWBGJZDVLGOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N4O3/c1-3-28-10-7-27(8-11-28)21-23(34-26(27)32)6-9-29-12-14-30(15-13-29)24-5-4-22(2)20-25(24)31-16-18-33-19-17-31/h4-5,20,23H,3,6-19,21H2,1-2H3.

What are the key properties of 8-ethyl-3-[2-[4-(4-methyl-2-morpholin-4-ylphenyl)piperazin-1-yl]ethyl]-2-oxa-8-azaspiro[4.5]decan-1-one?

8-ethyl-3-[2-[4-(4-methyl-2-morpholin-4-ylphenyl)piperazin-1-yl]ethyl]-2-oxa-8-azaspiro[4.5]decan-1-one has a molecular weight of 470.66 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-ethyl-3-[2-[4-(4-methyl-2-morpholin-4-ylphenyl)piperazin-1-yl]ethyl]-2-oxa-8-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 160614113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).