2-(2-morpholin-4-ylethyl)-7-[4-(trifluoromethyl)pyridine-3-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one

C20H25F3N4O3 — CID 175644031

IUPAC2-(2-morpholin-4-ylethyl)-7-[4-(trifluoromethyl)pyridine-3-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C(c1cnccc1C(F)(F)F)N1CCC2(CCN(CCN3CCOCC3)C2=O)C1
InChIInChI=1S/C20H25F3N4O3/c21-20(22,23)16-1-4-24-13-15(16)17(28)27-6-3-19(14-27)2-5-26(18(19)29)8-7-25-9-11-30-12-10-25/h1,4,13H,2-3,5-12,14H2
InChIKeyQTEHJQBUCVUGEI-UHFFFAOYSA-N
MW426.44 g/mol
LogP1.50
Rot. Bonds4

About 2-(2-morpholin-4-ylethyl)-7-[4-(trifluoromethyl)pyridine-3-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one

2-(2-morpholin-4-ylethyl)-7-[4-(trifluoromethyl)pyridine-3-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175644031) has the molecular formula C20H25F3N4O3 and a molecular weight of 426.44 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethyl)-7-[4-(trifluoromethyl)pyridine-3-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethyl)-7-[4-(trifluoromethyl)pyridine-3-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID175644031
Molecular FormulaC20H25F3N4O3
Molecular Weight426.44 g/mol
Exact Mass426.19
IUPAC Name2-(2-morpholin-4-ylethyl)-7-[4-(trifluoromethyl)pyridine-3-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C(c1cnccc1C(F)(F)F)N1CCC2(CCN(CCN3CCOCC3)C2=O)C1
InChIInChI=1S/C20H25F3N4O3/c21-20(22,23)16-1-4-24-13-15(16)17(28)27-6-3-19(14-27)2-5-26(18(19)29)8-7-25-9-11-30-12-10-25/h1,4,13H,2-3,5-12,14H2
InChIKeyQTEHJQBUCVUGEI-UHFFFAOYSA-N
XLogP1.50
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(2H-benzotriazole-5-carbonyl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642547
7-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642802
2-(2-morpholin-4-ylethyl)-7-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175646163
2-(2-morpholin-4-ylethyl)-7-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175640827
9-(pyrazine-2-carbonyl)-2-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 134076269
7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175643514
(5S)-9,9-dimethyl-8-oxo-2-[4-(trifluoromethyl)pyridine-3-carbonyl]-2-azaspiro[4.5]dec-6-ene-7-carbonitrile
CID 169024174
7-[3-fluoro-4-(trifluoromethyl)benzoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175640654
2-(2-methoxyethyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155855059
2-(2-morpholin-4-ylethyl)-7-quinoxalin-2-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 175645511
7-(2-methyl-2-morpholin-4-ylpropanoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175641553
7-(4-amino-5-fluoropyrimidin-2-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176502798

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethyl)-7-[4-(trifluoromethyl)pyridine-3-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 2-(2-morpholin-4-ylethyl)-7-[4-(trifluoromethyl)pyridine-3-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one (CID 175644031) is 2-(2-morpholin-4-ylethyl)-7-[4-(trifluoromethyl)pyridine-3-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 2-(2-morpholin-4-ylethyl)-7-[4-(trifluoromethyl)pyridine-3-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 2-(2-morpholin-4-ylethyl)-7-[4-(trifluoromethyl)pyridine-3-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one is O=C(c1cnccc1C(F)(F)F)N1CCC2(CCN(CCN3CCOCC3)C2=O)C1.
What is the InChIKey of 2-(2-morpholin-4-ylethyl)-7-[4-(trifluoromethyl)pyridine-3-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is QTEHJQBUCVUGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O3/c21-20(22,23)16-1-4-24-13-15(16)17(28)27-6-3-19(14-27)2-5-26(18(19)29)8-7-25-9-11-30-12-10-25/h1,4,13H,2-3,5-12,14H2.
What are the key properties of 2-(2-morpholin-4-ylethyl)-7-[4-(trifluoromethyl)pyridine-3-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one?
2-(2-morpholin-4-ylethyl)-7-[4-(trifluoromethyl)pyridine-3-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 426.44 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethyl)-7-[4-(trifluoromethyl)pyridine-3-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175644031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).