2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.5]decane-1,3-dione

C22H31N3O3 — CID 11653899

IUPAC2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.5]decane-1,3-dione
SMILESCOc1ccccc1N1CCN(CCN2C(=O)CC3(CCCCC3)C2=O)CC1
InChIInChI=1S/C22H31N3O3/c1-28-19-8-4-3-7-18(19)24-14-11-23(12-15-24)13-16-25-20(26)17-22(21(25)27)9-5-2-6-10-22/h3-4,7-8H,2,5-6,9-17H2,1H3
InChIKeyLSXHXXWLWSECTR-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.53
Rot. Bonds5

About 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.5]decane-1,3-dione

2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 11653899) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.5]decane-1,3-dione
PubChem CID11653899
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.5]decane-1,3-dione
SMILESCOc1ccccc1N1CCN(CCN2C(=O)CC3(CCCCC3)C2=O)CC1
InChIInChI=1S/C22H31N3O3/c1-28-19-8-4-3-7-18(19)24-14-11-23(12-15-24)13-16-25-20(26)17-22(21(25)27)9-5-2-6-10-22/h3-4,7-8H,2,5-6,9-17H2,1H3
InChIKeyLSXHXXWLWSECTR-UHFFFAOYSA-N
XLogP2.53
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.53
H-Bond Donors ≤ 50
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 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.5]decane-1,3-dione (CID 11653899) is 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.5]decane-1,3-dione is COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCCC3)C2=O)CC1.
What is the InChIKey of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is LSXHXXWLWSECTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-28-19-8-4-3-7-18(19)24-14-11-23(12-15-24)13-16-25-20(26)17-22(21(25)27)9-5-2-6-10-22/h3-4,7-8H,2,5-6,9-17H2,1H3.
What are the key properties of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.5]decane-1,3-dione?
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 385.51 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 11653899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).