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

C24H35N3O3 — CID 11154198

IUPAC8-[2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCC(C)Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
InChIInChI=1S/C24H35N3O3/c1-19(2)30-21-8-4-3-7-20(21)26-14-11-25(12-15-26)13-16-27-22(28)17-24(18-23(27)29)9-5-6-10-24/h3-4,7-8,19H,5-6,9-18H2,1-2H3
InChIKeyWOTQTCOGYGHNIU-UHFFFAOYSA-N
MW413.56 g/mol
LogP3.31
Rot. Bonds6

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

8-[2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 11154198) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is 8-[2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID11154198
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC Name8-[2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCC(C)Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
InChIInChI=1S/C24H35N3O3/c1-19(2)30-21-8-4-3-7-20(21)26-14-11-25(12-15-26)13-16-27-22(28)17-24(18-23(27)29)9-5-6-10-24/h3-4,7-8,19H,5-6,9-18H2,1-2H3
InChIKeyWOTQTCOGYGHNIU-UHFFFAOYSA-N
XLogP3.31
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
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 8-[2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione (CID 11154198) is 8-[2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione is CC(C)Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1.
What is the InChIKey of 8-[2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is WOTQTCOGYGHNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-19(2)30-21-8-4-3-7-20(21)26-14-11-25(12-15-26)13-16-27-22(28)17-24(18-23(27)29)9-5-6-10-24/h3-4,7-8,19H,5-6,9-18H2,1-2H3.
What are the key properties of 8-[2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 413.56 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 11154198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).