4-(2,7-diazaspiro[3.5]nonan-2-yl)-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzamide;2,2,2-trifluoroacetic acid

C21H24F4N4O5 — CID 175975873

IUPAC4-(2,7-diazaspiro[3.5]nonan-2-yl)-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CCC(NC(=O)c2ccc(N3CC4(CCNCC4)C3)cc2F)C(=O)N1
InChIInChI=1S/C19H23FN4O3.C2HF3O2/c20-14-9-12(24-10-19(11-24)5-7-21-8-6-19)1-2-13(14)17(26)22-15-3-4-16(25)23-18(15)27;3-2(4,5)1(6)7/h1-2,9,15,21H,3-8,10-11H2,(H,22,26)(H,23,25,27);(H,6,7)
InChIKeyGDPJLKFDPVTUEE-UHFFFAOYSA-N
MW488.44 g/mol
LogP1.18
Rot. Bonds3

About 4-(2,7-diazaspiro[3.5]nonan-2-yl)-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzamide;2,2,2-trifluoroacetic acid

4-(2,7-diazaspiro[3.5]nonan-2-yl)-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzamide;2,2,2-trifluoroacetic acid (PubChem CID 175975873) has the molecular formula C21H24F4N4O5 and a molecular weight of 488.44 g/mol. Its IUPAC name is 4-(2,7-diazaspiro[3.5]nonan-2-yl)-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(2,7-diazaspiro[3.5]nonan-2-yl)-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzamide;2,2,2-trifluoroacetic acid
PubChem CID175975873
Molecular FormulaC21H24F4N4O5
Molecular Weight488.44 g/mol
Exact Mass488.17
IUPAC Name4-(2,7-diazaspiro[3.5]nonan-2-yl)-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CCC(NC(=O)c2ccc(N3CC4(CCNCC4)C3)cc2F)C(=O)N1
InChIInChI=1S/C19H23FN4O3.C2HF3O2/c20-14-9-12(24-10-19(11-24)5-7-21-8-6-19)1-2-13(14)17(26)22-15-3-4-16(25)23-18(15)27;3-2(4,5)1(6)7/h1-2,9,15,21H,3-8,10-11H2,(H,22,26)(H,23,25,27);(H,6,7)
InChIKeyGDPJLKFDPVTUEE-UHFFFAOYSA-N
XLogP1.18
TPSA127.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.44
LogP ≤ 51.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide
CID 171626777
[4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]azanium
CID 155583990
N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-propan-2-ylbenzamide;ethane
CID 170749929
4-[4-(7-azaspiro[3.5]nonan-2-yl)piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-3-fluorobenzamide
CID 176911901
N-(2,6-dioxopiperidin-3-yl)-4-piperazin-1-ylpyridine-2-carboxamide
CID 172609767
N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formylbenzamide
CID 134581835
3-[3-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]piperidine-2,6-dione
CID 170979872
N-(2,6-dioxopiperidin-3-yl)-2-formyl-5-[4-(hydroxymethyl)piperidin-1-yl]benzamide
CID 178155469
4-chloro-N-[(3R)-2,6-dioxopiperidin-3-yl]benzamide
CID 2363882
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide
CID 141087093
N-cyclopropyl-2-fluoro-4-(4-piperidin-4-ylpiperidin-1-yl)benzamide
CID 71081149
4-[2-[[1-[4-[[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-[(3S)-2,6-dioxopiperidin-3-yl]-2-fluorobenzamide
CID 171564785

Frequently Asked Questions

What is the IUPAC name of 4-(2,7-diazaspiro[3.5]nonan-2-yl)-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(2,7-diazaspiro[3.5]nonan-2-yl)-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzamide;2,2,2-trifluoroacetic acid (CID 175975873) is 4-(2,7-diazaspiro[3.5]nonan-2-yl)-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(2,7-diazaspiro[3.5]nonan-2-yl)-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(2,7-diazaspiro[3.5]nonan-2-yl)-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzamide;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C1CCC(NC(=O)c2ccc(N3CC4(CCNCC4)C3)cc2F)C(=O)N1.
What is the InChIKey of 4-(2,7-diazaspiro[3.5]nonan-2-yl)-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzamide;2,2,2-trifluoroacetic acid?
The InChIKey is GDPJLKFDPVTUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3.C2HF3O2/c20-14-9-12(24-10-19(11-24)5-7-21-8-6-19)1-2-13(14)17(26)22-15-3-4-16(25)23-18(15)27;3-2(4,5)1(6)7/h1-2,9,15,21H,3-8,10-11H2,(H,22,26)(H,23,25,27);(H,6,7).
What are the key properties of 4-(2,7-diazaspiro[3.5]nonan-2-yl)-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzamide;2,2,2-trifluoroacetic acid?
4-(2,7-diazaspiro[3.5]nonan-2-yl)-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzamide;2,2,2-trifluoroacetic acid has a molecular weight of 488.44 g/mol, XLogP of 1.18, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,7-diazaspiro[3.5]nonan-2-yl)-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175975873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).