1-[4-(4-fluorophenyl)-4-oxobutyl]-4-methylpiperazine-2,5-dione

C15H17FN2O3 — CID 79937414

IUPAC1-[4-(4-fluorophenyl)-4-oxobutyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(CCCC(=O)c2ccc(F)cc2)CC1=O
InChIInChI=1S/C15H17FN2O3/c1-17-9-15(21)18(10-14(17)20)8-2-3-13(19)11-4-6-12(16)7-5-11/h4-7H,2-3,8-10H2,1H3
InChIKeyQWLQFUOEVLFYFW-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.09
Rot. Bonds5

About 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-methylpiperazine-2,5-dione

1-[4-(4-fluorophenyl)-4-oxobutyl]-4-methylpiperazine-2,5-dione (PubChem CID 79937414) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-4-oxobutyl]-4-methylpiperazine-2,5-dione
PubChem CID79937414
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name1-[4-(4-fluorophenyl)-4-oxobutyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(CCCC(=O)c2ccc(F)cc2)CC1=O
InChIInChI=1S/C15H17FN2O3/c1-17-9-15(21)18(10-14(17)20)8-2-3-13(19)11-4-6-12(16)7-5-11/h4-7H,2-3,8-10H2,1H3
InChIKeyQWLQFUOEVLFYFW-UHFFFAOYSA-N
XLogP1.09
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
1-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one
CID 143425472
4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 104967925
3-(4-methyl-2,5-dioxopiperazin-1-yl)propanamide
CID 79941482
4-tert-butyl-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrrolidin-2-one
CID 104512227
1-[4-(4-fluorophenyl)-4-oxobutyl]-3-propan-2-ylimidazol-2-one
CID 80580134
4-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one
CID 61421543
4-(2,2-dimethylpyrrolidin-1-yl)-1-(4-fluorophenyl)butan-1-one
CID 55162900
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-fluorophenyl)butan-1-one
CID 62129863
1-(3-aminopropyl)-4-methylpiperazine-2,5-dione
CID 79937549
4-[2-(4-fluorophenyl)-2-oxoethyl]-1-methyl-1,4-diazepan-2-one
CID 102889587
1-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)butan-1-one;hydrochloride
CID 29733

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-methylpiperazine-2,5-dione?
The IUPAC name of 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-methylpiperazine-2,5-dione (CID 79937414) is 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-methylpiperazine-2,5-dione is CN1CC(=O)N(CCCC(=O)c2ccc(F)cc2)CC1=O.
What is the InChIKey of 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-methylpiperazine-2,5-dione?
The InChIKey is QWLQFUOEVLFYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-17-9-15(21)18(10-14(17)20)8-2-3-13(19)11-4-6-12(16)7-5-11/h4-7H,2-3,8-10H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-methylpiperazine-2,5-dione?
1-[4-(4-fluorophenyl)-4-oxobutyl]-4-methylpiperazine-2,5-dione has a molecular weight of 292.31 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-methylpiperazine-2,5-dione is sourced from PubChem (CID 79937414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).