2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.7]dodecane-1,3-dione

C24H35N3O3 — CID 12840724

IUPAC2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.7]dodecane-1,3-dione
SMILESCOc1ccccc1N1CCN(CCN2C(=O)CC3(CCCCCCC3)C2=O)CC1
InChIInChI=1S/C24H35N3O3/c1-30-21-10-6-5-9-20(21)26-16-13-25(14-17-26)15-18-27-22(28)19-24(23(27)29)11-7-3-2-4-8-12-24/h5-6,9-10H,2-4,7-8,11-19H2,1H3
InChIKeySVUBMTPNCZKBBG-UHFFFAOYSA-N
MW413.56 g/mol
LogP3.31
Rot. Bonds5

About 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.7]dodecane-1,3-dione

2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.7]dodecane-1,3-dione (PubChem CID 12840724) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.7]dodecane-1,3-dione.

Molecular Properties

Compound Name2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.7]dodecane-1,3-dione
PubChem CID12840724
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC Name2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.7]dodecane-1,3-dione
SMILESCOc1ccccc1N1CCN(CCN2C(=O)CC3(CCCCCCC3)C2=O)CC1
InChIInChI=1S/C24H35N3O3/c1-30-21-10-6-5-9-20(21)26-16-13-25(14-17-26)15-18-27-22(28)19-24(23(27)29)11-7-3-2-4-8-12-24/h5-6,9-10H,2-4,7-8,11-19H2,1H3
InChIKeySVUBMTPNCZKBBG-UHFFFAOYSA-N
XLogP3.31
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 53.31
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[4.7]dodecane-1,3-dione?
The IUPAC name of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.7]dodecane-1,3-dione (CID 12840724) is 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.7]dodecane-1,3-dione.
What is the SMILES notation for 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.7]dodecane-1,3-dione?
The canonical SMILES for 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.7]dodecane-1,3-dione is COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCCCCC3)C2=O)CC1.
What is the InChIKey of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.7]dodecane-1,3-dione?
The InChIKey is SVUBMTPNCZKBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-30-21-10-6-5-9-20(21)26-16-13-25(14-17-26)15-18-27-22(28)19-24(23(27)29)11-7-3-2-4-8-12-24/h5-6,9-10H,2-4,7-8,11-19H2,1H3.
What are the key properties of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.7]dodecane-1,3-dione?
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.7]dodecane-1,3-dione has a molecular weight of 413.56 g/mol, XLogP of 3.31, 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[4.7]dodecane-1,3-dione is sourced from PubChem (CID 12840724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).