benzyl 4-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-3-oxopiperazine-1-carboxylate

C23H33N3O4 — CID 67080078

About benzyl 4-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-3-oxopiperazine-1-carboxylate

benzyl 4-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-3-oxopiperazine-1-carboxylate (PubChem CID 67080078) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is benzyl 4-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-3-oxopiperazine-1-carboxylate.

Molecular Properties

• Compound Name: benzyl 4-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-3-oxopiperazine-1-carboxylate
• PubChem CID: 67080078
• Molecular Formula: C23H33N3O4
• Molecular Weight: 415.53 g/mol
• Exact Mass: 415.25
• IUPAC Name: benzyl 4-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-3-oxopiperazine-1-carboxylate
• SMILES: CC1C(=O)N(CCCN2CCC3(CC3)C(O)C2)CCN1C(=O)OCc1ccccc1
• InChI: InChI=1S/C23H33N3O4/c1-18-21(28)25(12-5-11-24-13-10-23(8-9-23)20(27)16-24)14-15-26(18)22(29)30-17-19-6-3-2-4-7-19/h2-4,6-7,18,20,27H,5,8-17H2,1H3
• InChIKey: UNEUZPFSZSSHDZ-UHFFFAOYSA-N
• XLogP: 2.09
• TPSA: 73.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.53
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-3-oxopiperazine-1-carboxylate?

The IUPAC name of benzyl 4-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-3-oxopiperazine-1-carboxylate (CID 67080078) is benzyl 4-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-3-oxopiperazine-1-carboxylate.

What is the SMILES notation for benzyl 4-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-3-oxopiperazine-1-carboxylate?

The canonical SMILES for benzyl 4-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-3-oxopiperazine-1-carboxylate is CC1C(=O)N(CCCN2CCC3(CC3)C(O)C2)CCN1C(=O)OCc1ccccc1.

What is the InChIKey of benzyl 4-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-3-oxopiperazine-1-carboxylate?

The InChIKey is UNEUZPFSZSSHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-18-21(28)25(12-5-11-24-13-10-23(8-9-23)20(27)16-24)14-15-26(18)22(29)30-17-19-6-3-2-4-7-19/h2-4,6-7,18,20,27H,5,8-17H2,1H3.

What are the key properties of benzyl 4-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-3-oxopiperazine-1-carboxylate?

benzyl 4-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-3-oxopiperazine-1-carboxylate has a molecular weight of 415.53 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 4-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-3-oxopiperazine-1-carboxylate is sourced from PubChem (CID 67080078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).