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

C25H30FN3 — CID 10091869

IUPAC2-benzyl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2,8-diazaspiro[4.5]decane
SMILESFc1ccc2[nH]cc(CCN3CCC4(CC3)CCN(Cc3ccccc3)C4)c2c1
InChIInChI=1S/C25H30FN3/c26-22-6-7-24-23(16-22)21(17-27-24)8-12-28-13-9-25(10-14-28)11-15-29(19-25)18-20-4-2-1-3-5-20/h1-7,16-17,27H,8-15,18-19H2
InChIKeyINONWLYRSOMOJD-UHFFFAOYSA-N
MW391.53 g/mol
LogP4.84
Rot. Bonds5

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

2-benzyl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2,8-diazaspiro[4.5]decane (PubChem CID 10091869) has the molecular formula C25H30FN3 and a molecular weight of 391.53 g/mol. Its IUPAC name is 2-benzyl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-benzyl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2,8-diazaspiro[4.5]decane
PubChem CID10091869
Molecular FormulaC25H30FN3
Molecular Weight391.53 g/mol
Exact Mass391.24
IUPAC Name2-benzyl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2,8-diazaspiro[4.5]decane
SMILESFc1ccc2[nH]cc(CCN3CCC4(CC3)CCN(Cc3ccccc3)C4)c2c1
InChIInChI=1S/C25H30FN3/c26-22-6-7-24-23(16-22)21(17-27-24)8-12-28-13-9-25(10-14-28)11-15-29(19-25)18-20-4-2-1-3-5-20/h1-7,16-17,27H,8-15,18-19H2
InChIKeyINONWLYRSOMOJD-UHFFFAOYSA-N
XLogP4.84
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.53
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-benzyl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2,8-diazaspiro[4.5]decane (CID 10091869) is 2-benzyl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-benzyl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-benzyl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2,8-diazaspiro[4.5]decane is Fc1ccc2[nH]cc(CCN3CCC4(CC3)CCN(Cc3ccccc3)C4)c2c1.
What is the InChIKey of 2-benzyl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is INONWLYRSOMOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3/c26-22-6-7-24-23(16-22)21(17-27-24)8-12-28-13-9-25(10-14-28)11-15-29(19-25)18-20-4-2-1-3-5-20/h1-7,16-17,27H,8-15,18-19H2.
What are the key properties of 2-benzyl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2,8-diazaspiro[4.5]decane?
2-benzyl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 391.53 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 10091869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).