1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(2-fluorophenyl)ethanone

C21H29FN2O2 — CID 91921849

IUPAC1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(2-fluorophenyl)ethanone
SMILESO=C(Cc1ccccc1F)N1CCC2(CC1)CN(C1CCC1)CC2CO
InChIInChI=1S/C21H29FN2O2/c22-19-7-2-1-4-16(19)12-20(26)23-10-8-21(9-11-23)15-24(13-17(21)14-25)18-5-3-6-18/h1-2,4,7,17-18,25H,3,5-6,8-15H2
InChIKeyBSLFFPIDENIHGV-UHFFFAOYSA-N
MW360.47 g/mol
LogP2.45
Rot. Bonds4

About 1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(2-fluorophenyl)ethanone

1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(2-fluorophenyl)ethanone (PubChem CID 91921849) has the molecular formula C21H29FN2O2 and a molecular weight of 360.47 g/mol. Its IUPAC name is 1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(2-fluorophenyl)ethanone
PubChem CID91921849
Molecular FormulaC21H29FN2O2
Molecular Weight360.47 g/mol
Exact Mass360.22
IUPAC Name1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(2-fluorophenyl)ethanone
SMILESO=C(Cc1ccccc1F)N1CCC2(CC1)CN(C1CCC1)CC2CO
InChIInChI=1S/C21H29FN2O2/c22-19-7-2-1-4-16(19)12-20(26)23-10-8-21(9-11-23)15-24(13-17(21)14-25)18-5-3-6-18/h1-2,4,7,17-18,25H,3,5-6,8-15H2
InChIKeyBSLFFPIDENIHGV-UHFFFAOYSA-N
XLogP2.45
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(2-fluorophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(2-fluorophenyl)ethanone (CID 91921849) is 1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(2-fluorophenyl)ethanone is O=C(Cc1ccccc1F)N1CCC2(CC1)CN(C1CCC1)CC2CO.
What is the InChIKey of 1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(2-fluorophenyl)ethanone?
The InChIKey is BSLFFPIDENIHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O2/c22-19-7-2-1-4-16(19)12-20(26)23-10-8-21(9-11-23)15-24(13-17(21)14-25)18-5-3-6-18/h1-2,4,7,17-18,25H,3,5-6,8-15H2.
What are the key properties of 1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(2-fluorophenyl)ethanone?
1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(2-fluorophenyl)ethanone has a molecular weight of 360.47 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 91921849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).