3-benzyl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C24H25FN4O2 — CID 10454808

IUPAC3-benzyl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C24H25FN4O2/c25-19-6-7-21-20(14-19)18(15-26-21)8-11-28-12-9-24(10-13-28)22(30)29(23(31)27-24)16-17-4-2-1-3-5-17/h1-7,14-15,26H,8-13,16H2,(H,27,31)
InChIKeyOILZDTWZVYDQQA-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.44
Rot. Bonds5

About 3-benzyl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-benzyl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 10454808) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is 3-benzyl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-benzyl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID10454808
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC Name3-benzyl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C24H25FN4O2/c25-19-6-7-21-20(14-19)18(15-26-21)8-11-28-12-9-24(10-13-28)22(30)29(23(31)27-24)16-17-4-2-1-3-5-17/h1-7,14-15,26H,8-13,16H2,(H,27,31)
InChIKeyOILZDTWZVYDQQA-UHFFFAOYSA-N
XLogP3.44
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-benzyl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 10454808) is 3-benzyl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-benzyl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-benzyl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is OILZDTWZVYDQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c25-19-6-7-21-20(14-19)18(15-26-21)8-11-28-12-9-24(10-13-28)22(30)29(23(31)27-24)16-17-4-2-1-3-5-17/h1-7,14-15,26H,8-13,16H2,(H,27,31).
What are the key properties of 3-benzyl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-benzyl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 420.49 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 10454808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).