8-[4-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione

C26H35N3O3 — CID 3088098

IUPAC8-[4-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1Nc2ccccc2C1C1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1
InChIInChI=1S/C26H35N3O3/c30-22-17-26(11-3-4-12-26)18-23(31)29(22)14-6-5-13-28-15-9-19(10-16-28)24-20-7-1-2-8-21(20)27-25(24)32/h1-2,7-8,19,24H,3-6,9-18H2,(H,27,32)
InChIKeyBZKMGEDLYOKIRJ-UHFFFAOYSA-N
MW437.58 g/mol
LogP3.92
Rot. Bonds6

About 8-[4-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione

8-[4-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 3088098) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is 8-[4-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[4-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID3088098
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name8-[4-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1Nc2ccccc2C1C1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1
InChIInChI=1S/C26H35N3O3/c30-22-17-26(11-3-4-12-26)18-23(31)29(22)14-6-5-13-28-15-9-19(10-16-28)24-20-7-1-2-8-21(20)27-25(24)32/h1-2,7-8,19,24H,3-6,9-18H2,(H,27,32)
InChIKeyBZKMGEDLYOKIRJ-UHFFFAOYSA-N
XLogP3.92
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[4-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione (CID 3088098) is 8-[4-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[4-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[4-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione is O=C1Nc2ccccc2C1C1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1.
What is the InChIKey of 8-[4-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is BZKMGEDLYOKIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c30-22-17-26(11-3-4-12-26)18-23(31)29(22)14-6-5-13-28-15-9-19(10-16-28)24-20-7-1-2-8-21(20)27-25(24)32/h1-2,7-8,19,24H,3-6,9-18H2,(H,27,32).
What are the key properties of 8-[4-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[4-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 437.58 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 3088098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).