N,N-dimethyl-4-oxo-7-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide

C17H19F3N2O3 — CID 100760238

IUPACN,N-dimethyl-4-oxo-7-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
SMILESCN(C)C(=O)N1CCC2(CC1)CC(=O)c1ccc(C(F)(F)F)cc1O2
InChIInChI=1S/C17H19F3N2O3/c1-21(2)15(24)22-7-5-16(6-8-22)10-13(23)12-4-3-11(17(18,19)20)9-14(12)25-16/h3-4,9H,5-8,10H2,1-2H3
InChIKeyADOSMXYKXCMTML-UHFFFAOYSA-N
MW356.34 g/mol
LogP3.19
Rot. Bonds

About N,N-dimethyl-4-oxo-7-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide

N,N-dimethyl-4-oxo-7-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide (PubChem CID 100760238) has the molecular formula C17H19F3N2O3 and a molecular weight of 356.34 g/mol. Its IUPAC name is N,N-dimethyl-4-oxo-7-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-oxo-7-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
PubChem CID100760238
Molecular FormulaC17H19F3N2O3
Molecular Weight356.34 g/mol
Exact Mass356.13
IUPAC NameN,N-dimethyl-4-oxo-7-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
SMILESCN(C)C(=O)N1CCC2(CC1)CC(=O)c1ccc(C(F)(F)F)cc1O2
InChIInChI=1S/C17H19F3N2O3/c1-21(2)15(24)22-7-5-16(6-8-22)10-13(23)12-4-3-11(17(18,19)20)9-14(12)25-16/h3-4,9H,5-8,10H2,1-2H3
InChIKeyADOSMXYKXCMTML-UHFFFAOYSA-N
XLogP3.19
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-methyl-7-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 100760143
6-cyano-N,N-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 100760519
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
tert-butyl 7-hydroxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;ethane
CID 143029871
1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260499
1'-[4-(trifluoromethyl)benzoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585914
6-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
CID 68663844
7-methoxy-1'-[(2S)-2-(2-oxopyrrolidin-1-yl)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 51583615
4-oxospiro[3H-chromene-2,4'-piperidine]-1',6-dicarboxylic acid
CID 66782544
1'-(2-chloroacetyl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735805
1'-[4-(dimethylamino)benzoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735789

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-oxo-7-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of N,N-dimethyl-4-oxo-7-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide (CID 100760238) is N,N-dimethyl-4-oxo-7-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-oxo-7-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N,N-dimethyl-4-oxo-7-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide is CN(C)C(=O)N1CCC2(CC1)CC(=O)c1ccc(C(F)(F)F)cc1O2.
What is the InChIKey of N,N-dimethyl-4-oxo-7-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
The InChIKey is ADOSMXYKXCMTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O3/c1-21(2)15(24)22-7-5-16(6-8-22)10-13(23)12-4-3-11(17(18,19)20)9-14(12)25-16/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of N,N-dimethyl-4-oxo-7-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
N,N-dimethyl-4-oxo-7-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide has a molecular weight of 356.34 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-oxo-7-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 100760238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).