tert-butyl (3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

C25H37ClN4O3 — CID 146252634

About tert-butyl (3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

tert-butyl (3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 146252634) has the molecular formula C25H37ClN4O3 and a molecular weight of 477.05 g/mol. Its IUPAC name is tert-butyl (3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
• PubChem CID: 146252634
• Molecular Formula: C25H37ClN4O3
• Molecular Weight: 477.05 g/mol
• Exact Mass: 476.26
• IUPAC Name: tert-butyl (3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CCN1CCN(c3cccc(Cl)c3)CC1)NC2=O
• InChI: InChI=1S/C25H37ClN4O3/c1-24(2,3)33-23(32)30-11-8-25(9-12-30)18-20(27-22(25)31)7-10-28-13-15-29(16-14-28)21-6-4-5-19(26)17-21/h4-6,17,20H,7-16,18H2,1-3H3,(H,27,31)/t20-/m0/s1
• InChIKey: GVOCOLBHRNEBOC-FQEVSTJZSA-N
• XLogP: 3.76
• TPSA: 65.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.05
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?

The IUPAC name of tert-butyl (3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate (CID 146252634) is tert-butyl (3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate.

What is the SMILES notation for tert-butyl (3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?

The canonical SMILES for tert-butyl (3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CCN1CCN(c3cccc(Cl)c3)CC1)NC2=O.

What is the InChIKey of tert-butyl (3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?

The InChIKey is GVOCOLBHRNEBOC-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H37ClN4O3/c1-24(2,3)33-23(32)30-11-8-25(9-12-30)18-20(27-22(25)31)7-10-28-13-15-29(16-14-28)21-6-4-5-19(26)17-21/h4-6,17,20H,7-16,18H2,1-3H3,(H,27,31)/t20-/m0/s1.

What are the key properties of tert-butyl (3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?

tert-butyl (3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 477.05 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 146252634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).