N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

C21H30FN3O2 — CID 131952175

IUPACN-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCC1(C)CC(CC(=O)NC2CC(=O)N(c3ccc(F)cc3)C2)CC(C)(C)N1
InChIInChI=1S/C21H30FN3O2/c1-20(2)11-14(12-21(3,4)24-20)9-18(26)23-16-10-19(27)25(13-16)17-7-5-15(22)6-8-17/h5-8,14,16,24H,9-13H2,1-4H3,(H,23,26)
InChIKeyXAIBMIDNYTWTOC-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.99
Rot. Bonds4

About N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (PubChem CID 131952175) has the molecular formula C21H30FN3O2 and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
PubChem CID131952175
Molecular FormulaC21H30FN3O2
Molecular Weight375.49 g/mol
Exact Mass375.23
IUPAC NameN-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCC1(C)CC(CC(=O)NC2CC(=O)N(c3ccc(F)cc3)C2)CC(C)(C)N1
InChIInChI=1S/C21H30FN3O2/c1-20(2)11-14(12-21(3,4)24-20)9-18(26)23-16-10-19(27)25(13-16)17-7-5-15(22)6-8-17/h5-8,14,16,24H,9-13H2,1-4H3,(H,23,26)
InChIKeyXAIBMIDNYTWTOC-UHFFFAOYSA-N
XLogP2.99
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548387
2-(4-fluorophenyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7254979
ethyl 4-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]amino]-4-oxobutanoate
CID 7563752
4-fluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822276
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 97136714
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 97136715
1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(3,3,5-trimethylcyclohexyl)urea
CID 43970311
N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenoxyacetamide
CID 7563674
3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea
CID 7547670
1-cyclopentyl-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970310
1-cyclopentyl-3-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548063
1-cyclopentyl-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548061

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (CID 131952175) is N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is CC1(C)CC(CC(=O)NC2CC(=O)N(c3ccc(F)cc3)C2)CC(C)(C)N1.
What is the InChIKey of N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The InChIKey is XAIBMIDNYTWTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O2/c1-20(2)11-14(12-21(3,4)24-20)9-18(26)23-16-10-19(27)25(13-16)17-7-5-15(22)6-8-17/h5-8,14,16,24H,9-13H2,1-4H3,(H,23,26).
What are the key properties of N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide has a molecular weight of 375.49 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 131952175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).