1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid

C16H19F3N2O4 — CID 155824350

IUPAC1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid
SMILESO=C(Cc1ccccn1)N1CCC2(CC1)COC2.O=C(O)C(F)(F)F
InChIInChI=1S/C14H18N2O2.C2HF3O2/c17-13(9-12-3-1-2-6-15-12)16-7-4-14(5-8-16)10-18-11-14;3-2(4,5)1(6)7/h1-3,6H,4-5,7-11H2;(H,6,7)
InChIKeyLNJMEJWRISQGRG-UHFFFAOYSA-N
MW360.33 g/mol
LogP1.90
Rot. Bonds2

About 1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid

1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid (PubChem CID 155824350) has the molecular formula C16H19F3N2O4 and a molecular weight of 360.33 g/mol. Its IUPAC name is 1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid
PubChem CID155824350
Molecular FormulaC16H19F3N2O4
Molecular Weight360.33 g/mol
Exact Mass360.13
IUPAC Name1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid
SMILESO=C(Cc1ccccn1)N1CCC2(CC1)COC2.O=C(O)C(F)(F)F
InChIInChI=1S/C14H18N2O2.C2HF3O2/c17-13(9-12-3-1-2-6-15-12)16-7-4-14(5-8-16)10-18-11-14;3-2(4,5)1(6)7/h1-3,6H,4-5,7-11H2;(H,6,7)
InChIKeyLNJMEJWRISQGRG-UHFFFAOYSA-N
XLogP1.90
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid 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 1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid (CID 155824350) is 1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid is O=C(Cc1ccccn1)N1CCC2(CC1)COC2.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid?
The InChIKey is LNJMEJWRISQGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2.C2HF3O2/c17-13(9-12-3-1-2-6-15-12)16-7-4-14(5-8-16)10-18-11-14;3-2(4,5)1(6)7/h1-3,6H,4-5,7-11H2;(H,6,7).
What are the key properties of 1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid?
1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid has a molecular weight of 360.33 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155824350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).