1'-methyl-7-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one

C15H16F3NO2 — CID 100760143

IUPAC1'-methyl-7-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCN1CCC2(CC1)CC(=O)c1ccc(C(F)(F)F)cc1O2
InChIInChI=1S/C15H16F3NO2/c1-19-6-4-14(5-7-19)9-12(20)11-3-2-10(15(16,17)18)8-13(11)21-14/h2-3,8H,4-7,9H2,1H3
InChIKeyQORBXWVZPUOWDC-UHFFFAOYSA-N
MW299.29 g/mol
LogP3.13
Rot. Bonds

About 1'-methyl-7-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one

1'-methyl-7-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 100760143) has the molecular formula C15H16F3NO2 and a molecular weight of 299.29 g/mol. Its IUPAC name is 1'-methyl-7-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-methyl-7-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID100760143
Molecular FormulaC15H16F3NO2
Molecular Weight299.29 g/mol
Exact Mass299.11
IUPAC Name1'-methyl-7-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCN1CCC2(CC1)CC(=O)c1ccc(C(F)(F)F)cc1O2
InChIInChI=1S/C15H16F3NO2/c1-19-6-4-14(5-7-19)9-12(20)11-3-2-10(15(16,17)18)8-13(11)21-14/h2-3,8H,4-7,9H2,1H3
InChIKeyQORBXWVZPUOWDC-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-oxo-7-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 100760238
6-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
CID 68663844
1'-methyl-6-[(2-methylpropan-2-yl)oxy]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 139314084
6-tert-butyl-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine]
CID 176615898
1'-[3,5-bis(trifluoromethyl)benzoyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758276
1'-[3-(trifluoromethyl)benzoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260579
1'-methyl-6-(1-methylpyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 143739831
tert-butyl 7-hydroxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;ethane
CID 143029871
8-amino-6-fluoro-1'-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 82046364
3-(7-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propanoic acid
CID 82046742
6-amino-1',7,8-trimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 82046423
7-methoxy-1'-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774871

Frequently Asked Questions

What is the IUPAC name of 1'-methyl-7-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-methyl-7-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 100760143) is 1'-methyl-7-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-methyl-7-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-methyl-7-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one is CN1CCC2(CC1)CC(=O)c1ccc(C(F)(F)F)cc1O2.
What is the InChIKey of 1'-methyl-7-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is QORBXWVZPUOWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO2/c1-19-6-4-14(5-7-19)9-12(20)11-3-2-10(15(16,17)18)8-13(11)21-14/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 1'-methyl-7-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-methyl-7-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 299.29 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-7-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 100760143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).