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

C22H31N3O2 — CID 11474152

IUPAC8-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
InChIInChI=1S/C22H31N3O2/c1-18-6-2-3-7-19(18)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
InChIKeyGUUIENZLFCYGEL-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.83
Rot. Bonds4

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

8-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 11474152) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 8-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID11474152
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name8-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
InChIInChI=1S/C22H31N3O2/c1-18-6-2-3-7-19(18)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
InChIKeyGUUIENZLFCYGEL-UHFFFAOYSA-N
XLogP2.83
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.83
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-methylphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione (CID 11474152) is 8-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione is Cc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1.
What is the InChIKey of 8-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is GUUIENZLFCYGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-18-6-2-3-7-19(18)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3.
What are the key properties of 8-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 369.51 g/mol, XLogP of 2.83, 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-methylphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 11474152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).