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

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Related Compounds

2-pyridin-2-yl-1-(3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone;bis(2,2,2-trifluoroacetic acid)
CID 118746938
2-methoxy-1-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone;2,2,2-trifluoroacetic acid
CID 171672878
1-[1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-pyridin-2-ylethanone;bis(2,2,2-trifluoroacetic acid)
CID 155830102
[4-phenyl-1-(2-pyridin-2-ylacetyl)piperidin-4-yl] acetate
CID 15055617
1-[(3aS,6aR)-3a-(ethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid
CID 155833093
1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 115276738
8-(2-pyridin-2-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62848964
(4S)-4-phenyl-8-(2-pyridin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97452786
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
3-(pyridin-2-ylmethyl)-9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecane;tetrakis(2,2,2-trifluoroacetic acid)
CID 155847164
3-propyl-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxylic acid
CID 63145188
8-(2-pyridin-2-ylacetyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131688476

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).