benzyl 5-carbamoyl-4-[4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-4-oxobutyl]-2-methyl-3-oxopiperazine-1-carboxylate

C25H34N4O6 — CID 67074379

About benzyl 5-carbamoyl-4-[4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-4-oxobutyl]-2-methyl-3-oxopiperazine-1-carboxylate

benzyl 5-carbamoyl-4-[4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-4-oxobutyl]-2-methyl-3-oxopiperazine-1-carboxylate (PubChem CID 67074379) has the molecular formula C25H34N4O6 and a molecular weight of 486.57 g/mol. Its IUPAC name is benzyl 5-carbamoyl-4-[4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-4-oxobutyl]-2-methyl-3-oxopiperazine-1-carboxylate.

Molecular Properties

• Compound Name: benzyl 5-carbamoyl-4-[4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-4-oxobutyl]-2-methyl-3-oxopiperazine-1-carboxylate
• PubChem CID: 67074379
• Molecular Formula: C25H34N4O6
• Molecular Weight: 486.57 g/mol
• Exact Mass: 486.25
• IUPAC Name: benzyl 5-carbamoyl-4-[4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-4-oxobutyl]-2-methyl-3-oxopiperazine-1-carboxylate
• SMILES: CC1C(=O)N(CCCC(=O)N2CCC3(CC3)[C@H](O)C2)C(C(N)=O)CN1C(=O)OCc1ccccc1
• InChI: InChI=1S/C25H34N4O6/c1-17-23(33)28(12-5-8-21(31)27-13-11-25(9-10-25)20(30)15-27)19(22(26)32)14-29(17)24(34)35-16-18-6-3-2-4-7-18/h2-4,6-7,17,19-20,30H,5,8-16H2,1H3,(H2,26,32)/t17?,19?,20-/m1/s1
• InChIKey: UGXSIFHLDQMRPJ-LYBXBRPPSA-N
• XLogP: 0.86
• TPSA: 133.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.57
LogP ≤ 5	0.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of benzyl 5-carbamoyl-4-[4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-4-oxobutyl]-2-methyl-3-oxopiperazine-1-carboxylate?

The IUPAC name of benzyl 5-carbamoyl-4-[4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-4-oxobutyl]-2-methyl-3-oxopiperazine-1-carboxylate (CID 67074379) is benzyl 5-carbamoyl-4-[4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-4-oxobutyl]-2-methyl-3-oxopiperazine-1-carboxylate.

What is the SMILES notation for benzyl 5-carbamoyl-4-[4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-4-oxobutyl]-2-methyl-3-oxopiperazine-1-carboxylate?

The canonical SMILES for benzyl 5-carbamoyl-4-[4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-4-oxobutyl]-2-methyl-3-oxopiperazine-1-carboxylate is CC1C(=O)N(CCCC(=O)N2CCC3(CC3)[C@H](O)C2)C(C(N)=O)CN1C(=O)OCc1ccccc1.

What is the InChIKey of benzyl 5-carbamoyl-4-[4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-4-oxobutyl]-2-methyl-3-oxopiperazine-1-carboxylate?

The InChIKey is UGXSIFHLDQMRPJ-LYBXBRPPSA-N. The full InChI is InChI=1S/C25H34N4O6/c1-17-23(33)28(12-5-8-21(31)27-13-11-25(9-10-25)20(30)15-27)19(22(26)32)14-29(17)24(34)35-16-18-6-3-2-4-7-18/h2-4,6-7,17,19-20,30H,5,8-16H2,1H3,(H2,26,32)/t17?,19?,20-/m1/s1.

What are the key properties of benzyl 5-carbamoyl-4-[4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-4-oxobutyl]-2-methyl-3-oxopiperazine-1-carboxylate?

benzyl 5-carbamoyl-4-[4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-4-oxobutyl]-2-methyl-3-oxopiperazine-1-carboxylate has a molecular weight of 486.57 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 5-carbamoyl-4-[4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-4-oxobutyl]-2-methyl-3-oxopiperazine-1-carboxylate is sourced from PubChem (CID 67074379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).