2-(2-methoxyethyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid

C19H24F3N3O5 — CID 155855059

IUPAC2-(2-methoxyethyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCC2(CCCN(C(=O)c3ccncc3)C2)C1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23N3O3.C2HF3O2/c1-23-12-11-19-10-6-17(16(19)22)5-2-9-20(13-17)15(21)14-3-7-18-8-4-14;3-2(4,5)1(6)7/h3-4,7-8H,2,5-6,9-13H2,1H3;(H,6,7)
InChIKeyFOFFRJQXPOGRIN-UHFFFAOYSA-N
MW431.41 g/mol
LogP1.82
Rot. Bonds4

About 2-(2-methoxyethyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid

2-(2-methoxyethyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid (PubChem CID 155855059) has the molecular formula C19H24F3N3O5 and a molecular weight of 431.41 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(2-methoxyethyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
PubChem CID155855059
Molecular FormulaC19H24F3N3O5
Molecular Weight431.41 g/mol
Exact Mass431.17
IUPAC Name2-(2-methoxyethyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCC2(CCCN(C(=O)c3ccncc3)C2)C1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23N3O3.C2HF3O2/c1-23-12-11-19-10-6-17(16(19)22)5-2-9-20(13-17)15(21)14-3-7-18-8-4-14;3-2(4,5)1(6)7/h3-4,7-8H,2,5-6,9-13H2,1H3;(H,6,7)
InChIKeyFOFFRJQXPOGRIN-UHFFFAOYSA-N
XLogP1.82
TPSA100.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-methoxyethyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

2-(2-methoxyethyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131638498
(5R)-2-(2-methoxyethyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97489862
(5S)-2-(2H-benzotriazole-5-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97116173
2-(2-methoxyethyl)-7-[4-(4-methoxyphenoxy)benzoyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 175643015
7-(2-methoxyethyl)-2-(1-methyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72921168
(5S)-2-(4-chloro-3-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25299094
2-(2-methoxyethyl)-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98896660
9-[2-(dimethylamino)acetyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155855500
(5S)-9-(furan-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98895269
2-[(6-methyl-2-pyridinyl)methyl]-9-(pyridine-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155824786
2-(2-methoxyethyl)-9-[(3-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155853901
2-(2-methoxyethyl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.6]undecan-1-one;2,2,2-trifluoroacetic acid
CID 155831325

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(2-methoxyethyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid (CID 155855059) is 2-(2-methoxyethyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(2-methoxyethyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(2-methoxyethyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid is COCCN1CCC2(CCCN(C(=O)c3ccncc3)C2)C1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(2-methoxyethyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid?
The InChIKey is FOFFRJQXPOGRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3.C2HF3O2/c1-23-12-11-19-10-6-17(16(19)22)5-2-9-20(13-17)15(21)14-3-7-18-8-4-14;3-2(4,5)1(6)7/h3-4,7-8H,2,5-6,9-13H2,1H3;(H,6,7).
What are the key properties of 2-(2-methoxyethyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid?
2-(2-methoxyethyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid has a molecular weight of 431.41 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155855059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).