4-(2-oxopropyl)-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one

C18H19F3N2O2 — CID 58103842

IUPAC4-(2-oxopropyl)-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one
SMILESCC(=O)CN1C(=O)C(c2ccc(C(F)(F)F)cc2)=NC12CCCCC2
InChIInChI=1S/C18H19F3N2O2/c1-12(24)11-23-16(25)15(22-17(23)9-3-2-4-10-17)13-5-7-14(8-6-13)18(19,20)21/h5-8H,2-4,9-11H2,1H3
InChIKeyLWWNEJYVIXCLJT-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.59
Rot. Bonds3

About 4-(2-oxopropyl)-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one

4-(2-oxopropyl)-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one (PubChem CID 58103842) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 4-(2-oxopropyl)-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one.

Molecular Properties

Compound Name4-(2-oxopropyl)-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one
PubChem CID58103842
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name4-(2-oxopropyl)-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one
SMILESCC(=O)CN1C(=O)C(c2ccc(C(F)(F)F)cc2)=NC12CCCCC2
InChIInChI=1S/C18H19F3N2O2/c1-12(24)11-23-16(25)15(22-17(23)9-3-2-4-10-17)13-5-7-14(8-6-13)18(19,20)21/h5-8H,2-4,9-11H2,1H3
InChIKeyLWWNEJYVIXCLJT-UHFFFAOYSA-N
XLogP3.59
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-oxopropyl)-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one 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 4-(2-oxopropyl)-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one?
The IUPAC name of 4-(2-oxopropyl)-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one (CID 58103842) is 4-(2-oxopropyl)-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one.
What is the SMILES notation for 4-(2-oxopropyl)-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one?
The canonical SMILES for 4-(2-oxopropyl)-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one is CC(=O)CN1C(=O)C(c2ccc(C(F)(F)F)cc2)=NC12CCCCC2.
What is the InChIKey of 4-(2-oxopropyl)-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one?
The InChIKey is LWWNEJYVIXCLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-12(24)11-23-16(25)15(22-17(23)9-3-2-4-10-17)13-5-7-14(8-6-13)18(19,20)21/h5-8H,2-4,9-11H2,1H3.
What are the key properties of 4-(2-oxopropyl)-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one?
4-(2-oxopropyl)-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one has a molecular weight of 352.36 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopropyl)-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-3-one is sourced from PubChem (CID 58103842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).