8-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione

C24H35N3O4 — CID 10365352

IUPAC8-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCOc1ccccc1N1CCN(CC(O)CCN2C(=O)CC3(CCCC3)CC2=O)CC1
InChIInChI=1S/C24H35N3O4/c1-31-21-7-3-2-6-20(21)26-14-12-25(13-15-26)18-19(28)8-11-27-22(29)16-24(17-23(27)30)9-4-5-10-24/h2-3,6-7,19,28H,4-5,8-18H2,1H3
InChIKeyZEELOWGOZGVPIS-UHFFFAOYSA-N
MW429.56 g/mol
LogP2.28
Rot. Bonds7

About 8-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione

8-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 10365352) has the molecular formula C24H35N3O4 and a molecular weight of 429.56 g/mol. Its IUPAC name is 8-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID10365352
Molecular FormulaC24H35N3O4
Molecular Weight429.56 g/mol
Exact Mass429.26
IUPAC Name8-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCOc1ccccc1N1CCN(CC(O)CCN2C(=O)CC3(CCCC3)CC2=O)CC1
InChIInChI=1S/C24H35N3O4/c1-31-21-7-3-2-6-20(21)26-14-12-25(13-15-26)18-19(28)8-11-27-22(29)16-24(17-23(27)30)9-4-5-10-24/h2-3,6-7,19,28H,4-5,8-18H2,1H3
InChIKeyZEELOWGOZGVPIS-UHFFFAOYSA-N
XLogP2.28
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione (CID 10365352) is 8-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione is COc1ccccc1N1CCN(CC(O)CCN2C(=O)CC3(CCCC3)CC2=O)CC1.
What is the InChIKey of 8-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is ZEELOWGOZGVPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4/c1-31-21-7-3-2-6-20(21)26-14-12-25(13-15-26)18-19(28)8-11-27-22(29)16-24(17-23(27)30)9-4-5-10-24/h2-3,6-7,19,28H,4-5,8-18H2,1H3.
What are the key properties of 8-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 429.56 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 10365352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).