2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one

C18H23F3N2O — CID 91799137

IUPAC2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESCC(C)N1CC(c2ccc(C(F)(F)F)cc2)C2(CCCNC2)C1=O
InChIInChI=1S/C18H23F3N2O/c1-12(2)23-10-15(17(16(23)24)8-3-9-22-11-17)13-4-6-14(7-5-13)18(19,20)21/h4-7,12,15,22H,3,8-11H2,1-2H3
InChIKeyRBUKIYXALLGGII-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.41
Rot. Bonds2

About 2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one

2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 91799137) has the molecular formula C18H23F3N2O and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one
PubChem CID91799137
Molecular FormulaC18H23F3N2O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Name2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESCC(C)N1CC(c2ccc(C(F)(F)F)cc2)C2(CCCNC2)C1=O
InChIInChI=1S/C18H23F3N2O/c1-12(2)23-10-15(17(16(23)24)8-3-9-22-11-17)13-4-6-14(7-5-13)18(19,20)21/h4-7,12,15,22H,3,8-11H2,1-2H3
InChIKeyRBUKIYXALLGGII-UHFFFAOYSA-N
XLogP3.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-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 2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one (CID 91799137) is 2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one is CC(C)N1CC(c2ccc(C(F)(F)F)cc2)C2(CCCNC2)C1=O.
What is the InChIKey of 2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is RBUKIYXALLGGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O/c1-12(2)23-10-15(17(16(23)24)8-3-9-22-11-17)13-4-6-14(7-5-13)18(19,20)21/h4-7,12,15,22H,3,8-11H2,1-2H3.
What are the key properties of 2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one?
2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 340.39 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 91799137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).