8-[2-[4-(2,4-dichlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione

C21H27Cl2N3O2 — CID 11441652

IUPAC8-[2-[4-(2,4-dichlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C21H27Cl2N3O2/c22-16-3-4-18(17(23)13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2
InChIKeyDNICHAOWVIITAI-UHFFFAOYSA-N
MW424.37 g/mol
LogP3.82
Rot. Bonds4

About 8-[2-[4-(2,4-dichlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione

8-[2-[4-(2,4-dichlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 11441652) has the molecular formula C21H27Cl2N3O2 and a molecular weight of 424.37 g/mol. Its IUPAC name is 8-[2-[4-(2,4-dichlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[2-[4-(2,4-dichlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID11441652
Molecular FormulaC21H27Cl2N3O2
Molecular Weight424.37 g/mol
Exact Mass423.15
IUPAC Name8-[2-[4-(2,4-dichlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C21H27Cl2N3O2/c22-16-3-4-18(17(23)13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2
InChIKeyDNICHAOWVIITAI-UHFFFAOYSA-N
XLogP3.82
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[4-(2,4-dichlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[2-[4-(2,4-dichlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione (CID 11441652) is 8-[2-[4-(2,4-dichlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[2-[4-(2,4-dichlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[2-[4-(2,4-dichlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione is O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 8-[2-[4-(2,4-dichlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is DNICHAOWVIITAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27Cl2N3O2/c22-16-3-4-18(17(23)13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2.
What are the key properties of 8-[2-[4-(2,4-dichlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[2-[4-(2,4-dichlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 424.37 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[4-(2,4-dichlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 11441652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).