6-methyl-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[2.5]octane-1-carboxamide

C16H19F3N2O — CID 155221379

IUPAC6-methyl-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[2.5]octane-1-carboxamide
SMILESCC1CCC2(CC1)CN2C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H19F3N2O/c1-11-6-8-15(9-7-11)10-21(15)14(22)20-13-4-2-12(3-5-13)16(17,18)19/h2-5,11H,6-10H2,1H3,(H,20,22)
InChIKeyJTZGYVBGZVFNTE-UHFFFAOYSA-N
MW312.33 g/mol
LogP4.50
Rot. Bonds1

About 6-methyl-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[2.5]octane-1-carboxamide

6-methyl-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[2.5]octane-1-carboxamide (PubChem CID 155221379) has the molecular formula C16H19F3N2O and a molecular weight of 312.33 g/mol. Its IUPAC name is 6-methyl-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[2.5]octane-1-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[2.5]octane-1-carboxamide
PubChem CID155221379
Molecular FormulaC16H19F3N2O
Molecular Weight312.33 g/mol
Exact Mass312.14
IUPAC Name6-methyl-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[2.5]octane-1-carboxamide
SMILESCC1CCC2(CC1)CN2C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H19F3N2O/c1-11-6-8-15(9-7-11)10-21(15)14(22)20-13-4-2-12(3-5-13)16(17,18)19/h2-5,11H,6-10H2,1H3,(H,20,22)
InChIKeyJTZGYVBGZVFNTE-UHFFFAOYSA-N
XLogP4.50
TPSA32.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-[4-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid
CID 61341954
7-(6-fluoroquinolin-4-yl)-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[3.5]nonane-1-carboxamide
CID 155221283
4-methyl-N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 138996912
2-[4-(4-methylpiperidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109009809
4-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 18274530
(2R)-2-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 95147672
3-methylsulfonyl-N-[4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 90591134
(3R)-3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 51944575
7-methyl-N-[4-(trifluoromethyl)phenyl]spiro[3.5]nonane-3-sulfonamide
CID 155221382
6-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109113261
1-amino-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 65466760
N-[4-(trifluoromethyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167872368

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[2.5]octane-1-carboxamide?
The IUPAC name of 6-methyl-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[2.5]octane-1-carboxamide (CID 155221379) is 6-methyl-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[2.5]octane-1-carboxamide.
What is the SMILES notation for 6-methyl-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[2.5]octane-1-carboxamide?
The canonical SMILES for 6-methyl-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[2.5]octane-1-carboxamide is CC1CCC2(CC1)CN2C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-methyl-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[2.5]octane-1-carboxamide?
The InChIKey is JTZGYVBGZVFNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O/c1-11-6-8-15(9-7-11)10-21(15)14(22)20-13-4-2-12(3-5-13)16(17,18)19/h2-5,11H,6-10H2,1H3,(H,20,22).
What are the key properties of 6-methyl-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[2.5]octane-1-carboxamide?
6-methyl-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[2.5]octane-1-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 4.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[2.5]octane-1-carboxamide is sourced from PubChem (CID 155221379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).