2-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one

C16H18F3N3O3 — CID 72925849

IUPAC2-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCC2(CCCNC2=O)C1
InChIInChI=1S/C16H18F3N3O3/c17-16(18,19)11-2-3-12(23)22(8-11)9-13(24)21-7-5-15(10-21)4-1-6-20-14(15)25/h2-3,8H,1,4-7,9-10H2,(H,20,25)
InChIKeyKTQBJVSYSDJUMM-UHFFFAOYSA-N
MW357.33 g/mol
LogP1.00
Rot. Bonds2

About 2-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one

2-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72925849) has the molecular formula C16H18F3N3O3 and a molecular weight of 357.33 g/mol. Its IUPAC name is 2-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72925849
Molecular FormulaC16H18F3N3O3
Molecular Weight357.33 g/mol
Exact Mass357.13
IUPAC Name2-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCC2(CCCNC2=O)C1
InChIInChI=1S/C16H18F3N3O3/c17-16(18,19)11-2-3-12(23)22(8-11)9-13(24)21-7-5-15(10-21)4-1-6-20-14(15)25/h2-3,8H,1,4-7,9-10H2,(H,20,25)
InChIKeyKTQBJVSYSDJUMM-UHFFFAOYSA-N
XLogP1.00
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

1-[2-(2,7-diazaspiro[4.5]dec-2-yl)-2-oxoethyl]-5-(trifluoromethyl)-2(1H)-pyridinone hydrochloride
CID 56749370
5-[[(3S)-1-[3-(2-oxopiperidin-1-yl)propanoyl]pyrrolidin-3-yl]methyl]-1H-pyridin-2-one
CID 97154346
(3R)-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide
CID 38846445
(3S)-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide
CID 38846446
1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-N-pentylpiperidine-4-carboxamide
CID 55717916
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-4-carboxamide
CID 56105858
N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 56308092
1-[2-[2-Oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide
CID 78802915
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 86944759
1-[2-[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 95221813
1-[2-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 95221814
(5R)-2-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97149389

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one (CID 72925849) is 2-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one is O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCC2(CCCNC2=O)C1.
What is the InChIKey of 2-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is KTQBJVSYSDJUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O3/c17-16(18,19)11-2-3-12(23)22(8-11)9-13(24)21-7-5-15(10-21)4-1-6-20-14(15)25/h2-3,8H,1,4-7,9-10H2,(H,20,25).
What are the key properties of 2-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one?
2-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 357.33 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72925849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).