1-[4-(methoxymethyl)-8-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone

C20H27F3N2O2 — CID 91922130

IUPAC1-[4-(methoxymethyl)-8-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCOCC1CN(C(C)=O)CC12CCN(Cc1ccccc1C(F)(F)F)CC2
InChIInChI=1S/C20H27F3N2O2/c1-15(26)25-12-17(13-27-2)19(14-25)7-9-24(10-8-19)11-16-5-3-4-6-18(16)20(21,22)23/h3-6,17H,7-14H2,1-2H3
InChIKeyWQJMMWXVPZNINR-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.41
Rot. Bonds4

About 1-[4-(methoxymethyl)-8-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone

1-[4-(methoxymethyl)-8-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 91922130) has the molecular formula C20H27F3N2O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-8-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-8-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
PubChem CID91922130
Molecular FormulaC20H27F3N2O2
Molecular Weight384.44 g/mol
Exact Mass384.20
IUPAC Name1-[4-(methoxymethyl)-8-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCOCC1CN(C(C)=O)CC12CCN(Cc1ccccc1C(F)(F)F)CC2
InChIInChI=1S/C20H27F3N2O2/c1-15(26)25-12-17(13-27-2)19(14-25)7-9-24(10-8-19)11-16-5-3-4-6-18(16)20(21,22)23/h3-6,17H,7-14H2,1-2H3
InChIKeyWQJMMWXVPZNINR-UHFFFAOYSA-N
XLogP3.41
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(methoxymethyl)-8-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]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-[4-(methoxymethyl)-8-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 1-[4-(methoxymethyl)-8-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone (CID 91922130) is 1-[4-(methoxymethyl)-8-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 1-[4-(methoxymethyl)-8-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 1-[4-(methoxymethyl)-8-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone is COCC1CN(C(C)=O)CC12CCN(Cc1ccccc1C(F)(F)F)CC2.
What is the InChIKey of 1-[4-(methoxymethyl)-8-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is WQJMMWXVPZNINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2O2/c1-15(26)25-12-17(13-27-2)19(14-25)7-9-24(10-8-19)11-16-5-3-4-6-18(16)20(21,22)23/h3-6,17H,7-14H2,1-2H3.
What are the key properties of 1-[4-(methoxymethyl)-8-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
1-[4-(methoxymethyl)-8-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 384.44 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-8-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 91922130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).