1'-[4-(trifluoromethyl)benzoyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one

C21H19F3N2O2 — CID 134791811

IUPAC1'-[4-(trifluoromethyl)benzoyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC2(CC1)Cc1ccccc1NC2=O
InChIInChI=1S/C21H19F3N2O2/c22-21(23,24)16-7-5-14(6-8-16)18(27)26-11-9-20(10-12-26)13-15-3-1-2-4-17(15)25-19(20)28/h1-8H,9-13H2,(H,25,28)
InChIKeyRZDOUWGFCRDSRH-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.12
Rot. Bonds1

About 1'-[4-(trifluoromethyl)benzoyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one

1'-[4-(trifluoromethyl)benzoyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one (PubChem CID 134791811) has the molecular formula C21H19F3N2O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is 1'-[4-(trifluoromethyl)benzoyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[4-(trifluoromethyl)benzoyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
PubChem CID134791811
Molecular FormulaC21H19F3N2O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC Name1'-[4-(trifluoromethyl)benzoyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC2(CC1)Cc1ccccc1NC2=O
InChIInChI=1S/C21H19F3N2O2/c22-21(23,24)16-7-5-14(6-8-16)18(27)26-11-9-20(10-12-26)13-15-3-1-2-4-17(15)25-19(20)28/h1-8H,9-13H2,(H,25,28)
InChIKeyRZDOUWGFCRDSRH-UHFFFAOYSA-N
XLogP4.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1'-[4-(trifluoromethyl)benzoyl]spiro[2,5-dihydro-1,5-benzoxazepine-3,4'-piperidine]-4-one
CID 134794743
1'-(3-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
CID 134792987
1'-(4-methylbenzoyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one
CID 134790038
N-[3-(2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carbonyl)phenyl]prop-2-enamide
CID 166410535
1'-(4-fluorobenzoyl)spiro[4,5-dihydro-1H-1,4-benzodiazepine-3,4'-piperidine]-2-one
CID 134791453
(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 131702366
1'-[4-(trifluoromethyl)benzoyl]spiro[2,5-dioxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-6-one
CID 110068864
1'-[4-(trifluoromethyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618118
1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-pyrrolidine]-2-one
CID 118740606
(4,4-dimethoxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 84582397
1'-propan-2-ylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
CID 176678107
1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one
CID 134794506

Frequently Asked Questions

What is the IUPAC name of 1'-[4-(trifluoromethyl)benzoyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[4-(trifluoromethyl)benzoyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one (CID 134791811) is 1'-[4-(trifluoromethyl)benzoyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[4-(trifluoromethyl)benzoyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[4-(trifluoromethyl)benzoyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one is O=C(c1ccc(C(F)(F)F)cc1)N1CCC2(CC1)Cc1ccccc1NC2=O.
What is the InChIKey of 1'-[4-(trifluoromethyl)benzoyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one?
The InChIKey is RZDOUWGFCRDSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O2/c22-21(23,24)16-7-5-14(6-8-16)18(27)26-11-9-20(10-12-26)13-15-3-1-2-4-17(15)25-19(20)28/h1-8H,9-13H2,(H,25,28).
What are the key properties of 1'-[4-(trifluoromethyl)benzoyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one?
1'-[4-(trifluoromethyl)benzoyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one has a molecular weight of 388.39 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[4-(trifluoromethyl)benzoyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one is sourced from PubChem (CID 134791811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).