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

C21H29N3O3 — CID 11234093

IUPAC8-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2O)CC1
InChIInChI=1S/C21H29N3O3/c25-18-6-2-1-5-17(18)23-12-9-22(10-13-23)11-14-24-19(26)15-21(16-20(24)27)7-3-4-8-21/h1-2,5-6,25H,3-4,7-16H2
InChIKeyXDLONFWTAWHJIX-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.22
Rot. Bonds4

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

8-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 11234093) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 8-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID11234093
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name8-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2O)CC1
InChIInChI=1S/C21H29N3O3/c25-18-6-2-1-5-17(18)23-12-9-22(10-13-23)11-14-24-19(26)15-21(16-20(24)27)7-3-4-8-21/h1-2,5-6,25H,3-4,7-16H2
InChIKeyXDLONFWTAWHJIX-UHFFFAOYSA-N
XLogP2.22
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-hydroxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione (CID 11234093) is 8-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione is O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2O)CC1.
What is the InChIKey of 8-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is XDLONFWTAWHJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c25-18-6-2-1-5-17(18)23-12-9-22(10-13-23)11-14-24-19(26)15-21(16-20(24)27)7-3-4-8-21/h1-2,5-6,25H,3-4,7-16H2.
What are the key properties of 8-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 371.48 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 11234093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).