1-[2-[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one

C16H20F3N3O2 — CID 95221813

IUPAC1-[2-[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)N1CC[C@]2(CCCNC2)C1
InChIInChI=1S/C16H20F3N3O2/c17-16(18,19)12-2-3-13(23)22(8-12)9-14(24)21-7-5-15(11-21)4-1-6-20-10-15/h2-3,8,20H,1,4-7,9-11H2/t15-/m0/s1
InChIKeyBBTXWMRRKFKMSO-HNNXBMFYSA-N
MW343.35 g/mol
LogP1.47
Rot. Bonds2

About 1-[2-[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one

1-[2-[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 95221813) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 1-[2-[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID95221813
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC Name1-[2-[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)N1CC[C@]2(CCCNC2)C1
InChIInChI=1S/C16H20F3N3O2/c17-16(18,19)12-2-3-13(23)22(8-12)9-14(24)21-7-5-15(11-21)4-1-6-20-10-15/h2-3,8,20H,1,4-7,9-11H2/t15-/m0/s1
InChIKeyBBTXWMRRKFKMSO-HNNXBMFYSA-N
XLogP1.47
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one with MolForge

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Related Compounds

5-{[7-(2,2-Dimethylpropyl)-2,7-diazaspiro[4.5]dec-2-yl]carbonyl}-2-pyridinol
CID 45250000
2-{[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]acetyl}-2,7-diazaspiro[4.5]decan-6-one
CID 72925849
1-[2-(2,7-diazaspiro[4.5]dec-2-yl)-2-oxoethyl]-5-(trifluoromethyl)-2(1H)-pyridinone hydrochloride
CID 56749370
2-[(3S)-4,4-difluoro-3-methyl-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
CID 175704335
N-(cyclohexylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2637006
N-(1-cyclopropylpiperidin-4-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 36267369
2-[4-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]piperidin-1-yl]-N-propylacetamide
CID 39145061
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 45824079
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 47035897
N-[2-(3-methylpiperidin-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 47035939
N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 55659068
1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-N-pentylpiperidine-4-carboxamide
CID 55717916

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one (CID 95221813) is 1-[2-[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one is O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CC[C@]2(CCCNC2)C1.
What is the InChIKey of 1-[2-[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is BBTXWMRRKFKMSO-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c17-16(18,19)12-2-3-13(23)22(8-12)9-14(24)21-7-5-15(11-21)4-1-6-20-10-15/h2-3,8,20H,1,4-7,9-11H2/t15-/m0/s1.
What are the key properties of 1-[2-[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
1-[2-[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 343.35 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 95221813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).