spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl-[4-(trifluoromethyl)phenyl]methanone

C21H20F3NO2 — CID 44583353

IUPACspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC2(CCc3ccccc3O2)CC1
InChIInChI=1S/C21H20F3NO2/c22-21(23,24)17-7-5-16(6-8-17)19(26)25-13-11-20(12-14-25)10-9-15-3-1-2-4-18(15)27-20/h1-8H,9-14H2
InChIKeyQYZZTCYPDDNZDI-UHFFFAOYSA-N
MW375.39 g/mol
LogP4.71
Rot. Bonds1

About spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl-[4-(trifluoromethyl)phenyl]methanone

spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 44583353) has the molecular formula C21H20F3NO2 and a molecular weight of 375.39 g/mol. Its IUPAC name is spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Namespiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl-[4-(trifluoromethyl)phenyl]methanone
PubChem CID44583353
Molecular FormulaC21H20F3NO2
Molecular Weight375.39 g/mol
Exact Mass375.14
IUPAC Namespiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC2(CCc3ccccc3O2)CC1
InChIInChI=1S/C21H20F3NO2/c22-21(23,24)17-7-5-16(6-8-17)19(26)25-13-11-20(12-14-25)10-9-15-3-1-2-4-18(15)27-20/h1-8H,9-14H2
InChIKeyQYZZTCYPDDNZDI-UHFFFAOYSA-N
XLogP4.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl-[4-(trifluoromethyl)phenyl]methanone 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 spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl-[4-(trifluoromethyl)phenyl]methanone (CID 44583353) is spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)N1CCC2(CCc3ccccc3O2)CC1.
What is the InChIKey of spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is QYZZTCYPDDNZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3NO2/c22-21(23,24)17-7-5-16(6-8-17)19(26)25-13-11-20(12-14-25)10-9-15-3-1-2-4-18(15)27-20/h1-8H,9-14H2.
What are the key properties of spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl-[4-(trifluoromethyl)phenyl]methanone?
spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 375.39 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 44583353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).