N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-1,3-diazaspiro[5.5]undeca-1,8,10-trien-8-yl]-2-(4-fluorophenyl)acetamide

C23H23FN4O4 — CID 143651529

IUPACN-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-1,3-diazaspiro[5.5]undeca-1,8,10-trien-8-yl]-2-(4-fluorophenyl)acetamide
SMILESCC1=NC2(C=CC=C(NC(=O)Cc3ccc(F)cc3)C2)CC(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C23H23FN4O4/c1-14-27-23(13-21(31)28(14)18-8-9-19(29)26-22(18)32)10-2-3-17(12-23)25-20(30)11-15-4-6-16(24)7-5-15/h2-7,10,18H,8-9,11-13H2,1H3,(H,25,30)(H,26,29,32)
InChIKeyCUSOJGXXGBKUHP-UHFFFAOYSA-N
MW438.46 g/mol
LogP1.52
Rot. Bonds4

About N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-1,3-diazaspiro[5.5]undeca-1,8,10-trien-8-yl]-2-(4-fluorophenyl)acetamide

N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-1,3-diazaspiro[5.5]undeca-1,8,10-trien-8-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 143651529) has the molecular formula C23H23FN4O4 and a molecular weight of 438.46 g/mol. Its IUPAC name is N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-1,3-diazaspiro[5.5]undeca-1,8,10-trien-8-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-1,3-diazaspiro[5.5]undeca-1,8,10-trien-8-yl]-2-(4-fluorophenyl)acetamide
PubChem CID143651529
Molecular FormulaC23H23FN4O4
Molecular Weight438.46 g/mol
Exact Mass438.17
IUPAC NameN-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-1,3-diazaspiro[5.5]undeca-1,8,10-trien-8-yl]-2-(4-fluorophenyl)acetamide
SMILESCC1=NC2(C=CC=C(NC(=O)Cc3ccc(F)cc3)C2)CC(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C23H23FN4O4/c1-14-27-23(13-21(31)28(14)18-8-9-19(29)26-22(18)32)10-2-3-17(12-23)25-20(30)11-15-4-6-16(24)7-5-15/h2-7,10,18H,8-9,11-13H2,1H3,(H,25,30)(H,26,29,32)
InChIKeyCUSOJGXXGBKUHP-UHFFFAOYSA-N
XLogP1.52
TPSA107.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)ethyl]acetamide
CID 136216801
N-{2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-2-(4-fluorophenyl)acetamide
CID 44826686
N-[[(5Z,7E)-1-(2,6-dioxopiperidin-3-yl)-2-methyl-10-oxo-4,9-dihydro-1,3-diazecin-8-yl]methyl]-2-(3-fluoro-4-methylphenyl)acetamide
CID 70997379
(3R)-3-amino-1-[3-methylidene-4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]piperazin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 87722832
N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-5-yl]methyl]-2-(3-fluoro-4-methylphenyl)acetamide
CID 89702158
3-Amino-1-[3-ethylimino-4-(3,3,3-trifluoroprop-1-en-2-yl)piperazin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 123967756
N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-5-yl]methyl]-4-(trifluoromethyl)benzamide
CID 129173992
4-[1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 136656022
3-amino-1-[3-methylidene-4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]piperazin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 139551674
N-[5-[1-[3-[(4S)-4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]cyclohexa-1,5-dien-1-yl]acetamide
CID 142917204
3-[3-[4-(3a,4-dihydro-1H-benzimidazol-5-yl)piperidin-1-yl]propyl]-5-ethyl-5-(4-fluorophenyl)-2-methylimidazol-4-one
CID 142917311
N-[5-[1-[3-[4-(4-fluorophenyl)-2,4-dimethyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]cyclohexa-2,4-dien-1-yl]-2-methylpropanamide
CID 142917474

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-1,3-diazaspiro[5.5]undeca-1,8,10-trien-8-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-1,3-diazaspiro[5.5]undeca-1,8,10-trien-8-yl]-2-(4-fluorophenyl)acetamide (CID 143651529) is N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-1,3-diazaspiro[5.5]undeca-1,8,10-trien-8-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-1,3-diazaspiro[5.5]undeca-1,8,10-trien-8-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-1,3-diazaspiro[5.5]undeca-1,8,10-trien-8-yl]-2-(4-fluorophenyl)acetamide is CC1=NC2(C=CC=C(NC(=O)Cc3ccc(F)cc3)C2)CC(=O)N1C1CCC(=O)NC1=O.
What is the InChIKey of N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-1,3-diazaspiro[5.5]undeca-1,8,10-trien-8-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is CUSOJGXXGBKUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O4/c1-14-27-23(13-21(31)28(14)18-8-9-19(29)26-22(18)32)10-2-3-17(12-23)25-20(30)11-15-4-6-16(24)7-5-15/h2-7,10,18H,8-9,11-13H2,1H3,(H,25,30)(H,26,29,32).
What are the key properties of N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-1,3-diazaspiro[5.5]undeca-1,8,10-trien-8-yl]-2-(4-fluorophenyl)acetamide?
N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-1,3-diazaspiro[5.5]undeca-1,8,10-trien-8-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 438.46 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-1,3-diazaspiro[5.5]undeca-1,8,10-trien-8-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 143651529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).