8-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride

C22H32Cl3N3O3 — CID 24833962

About 8-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride

8-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride (PubChem CID 24833962) has the molecular formula C22H32Cl3N3O3 and a molecular weight of 492.88 g/mol. Its IUPAC name is 8-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride.

Molecular Properties

• Compound Name: 8-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride
• PubChem CID: 24833962
• Molecular Formula: C22H32Cl3N3O3
• Molecular Weight: 492.88 g/mol
• Exact Mass: 491.15
• IUPAC Name: 8-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride
• SMILES: COc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1.Cl.Cl
• InChI: InChI=1S/C22H30ClN3O3.2ClH/c1-29-19-5-4-17(23)14-18(19)25-11-8-24(9-12-25)10-13-26-20(27)15-22(16-21(26)28)6-2-3-7-22;;/h4-5,14H,2-3,6-13,15-16H2,1H3;2*1H
• InChIKey: RBLUGNJITIKTDU-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 53.09 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.88
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride?

The IUPAC name of 8-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride (CID 24833962) is 8-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride.

What is the SMILES notation for 8-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride?

The canonical SMILES for 8-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride is COc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1.Cl.Cl.

What is the InChIKey of 8-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride?

The InChIKey is RBLUGNJITIKTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN3O3.2ClH/c1-29-19-5-4-17(23)14-18(19)25-11-8-24(9-12-25)10-13-26-20(27)15-22(16-21(26)28)6-2-3-7-22;;/h4-5,14H,2-3,6-13,15-16H2,1H3;2*1H.

What are the key properties of 8-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride?

8-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride has a molecular weight of 492.88 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride is sourced from PubChem (CID 24833962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).