1-[(5S)-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone

C20H24F6N2O2 — CID 3234384

IUPAC1-[(5S)-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC[C@@]2(CCN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)C1
InChIInChI=1S/C20H24F6N2O2/c1-30-11-17(29)28-5-2-3-18(13-28)4-6-27(12-18)10-14-7-15(19(21,22)23)9-16(8-14)20(24,25)26/h7-9H,2-6,10-13H2,1H3/t18-/m0/s1
InChIKeyQJDMDYUXQFOAHE-SFHVURJKSA-N
MW438.41 g/mol
LogP4.19
Rot. Bonds4

About 1-[(5S)-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone

1-[(5S)-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone (PubChem CID 3234384) has the molecular formula C20H24F6N2O2 and a molecular weight of 438.41 g/mol. Its IUPAC name is 1-[(5S)-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[(5S)-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone
PubChem CID3234384
Molecular FormulaC20H24F6N2O2
Molecular Weight438.41 g/mol
Exact Mass438.17
IUPAC Name1-[(5S)-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC[C@@]2(CCN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)C1
InChIInChI=1S/C20H24F6N2O2/c1-30-11-17(29)28-5-2-3-18(13-28)4-6-27(12-18)10-14-7-15(19(21,22)23)9-16(8-14)20(24,25)26/h7-9H,2-6,10-13H2,1H3/t18-/m0/s1
InChIKeyQJDMDYUXQFOAHE-SFHVURJKSA-N
XLogP4.19
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(5S)-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone with MolForge

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

Launch Full Analysis

Related Compounds

US10030020, Example 152
CID 132114588
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-methoxyethanone
CID 3232667
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methyl]-2,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone
CID 3232922
1-[(5S)-2-benzhydryl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone
CID 3233551
1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone
CID 3233949
1-[(5S)-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 3234789
US10781211, Example 258
CID 155440959
1-[9-[[3,5-Bis(trifluoromethyl)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-methoxyethanone
CID 3232601
1-(2-Benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone
CID 3233655
methyl (5S)-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 3233782
4-[[(5S)-7-(2-methoxyacetyl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzonitrile
CID 3234890
1-(9-Benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methoxyethanone
CID 3235224

Frequently Asked Questions

What is the IUPAC name of 1-[(5S)-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone?
The IUPAC name of 1-[(5S)-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone (CID 3234384) is 1-[(5S)-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[(5S)-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone?
The canonical SMILES for 1-[(5S)-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone is COCC(=O)N1CCC[C@@]2(CCN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)C1.
What is the InChIKey of 1-[(5S)-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone?
The InChIKey is QJDMDYUXQFOAHE-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24F6N2O2/c1-30-11-17(29)28-5-2-3-18(13-28)4-6-27(12-18)10-14-7-15(19(21,22)23)9-16(8-14)20(24,25)26/h7-9H,2-6,10-13H2,1H3/t18-/m0/s1.
What are the key properties of 1-[(5S)-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone?
1-[(5S)-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone has a molecular weight of 438.41 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S)-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone is sourced from PubChem (CID 3234384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).