1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

C16H17FN4O3 — CID 25343856

IUPAC1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESO=C(Cn1ccc(=O)[nH]c1=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H17FN4O3/c17-12-3-1-2-4-13(12)19-7-9-20(10-8-19)15(23)11-21-6-5-14(22)18-16(21)24/h1-6H,7-11H2,(H,18,22,24)
InChIKeyPZBJIBCBMDBQGK-UHFFFAOYSA-N
MW332.34 g/mol
LogP0.02
Rot. Bonds3

About 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 25343856) has the molecular formula C16H17FN4O3 and a molecular weight of 332.34 g/mol. Its IUPAC name is 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID25343856
Molecular FormulaC16H17FN4O3
Molecular Weight332.34 g/mol
Exact Mass332.13
IUPAC Name1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESO=C(Cn1ccc(=O)[nH]c1=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H17FN4O3/c17-12-3-1-2-4-13(12)19-7-9-20(10-8-19)15(23)11-21-6-5-14(22)18-16(21)24/h1-6H,7-11H2,(H,18,22,24)
InChIKeyPZBJIBCBMDBQGK-UHFFFAOYSA-N
XLogP0.02
TPSA78.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethoxyphenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione
CID 50928882
1-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 71977444
6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 110700048
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylpyrimidin-2-one
CID 132971329
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 1439137
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995427
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone
CID 7328592
4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolidine-3,5-dione
CID 110703277
2-(4-fluorophenyl)-1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]ethanone
CID 37405024
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2-oxa-7-azaspiro[3.4]octan-7-yl)ethanone
CID 167790420
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenoxyethanone
CID 807242
2-(cyclopropylmethylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119826997

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (CID 25343856) is 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is O=C(Cn1ccc(=O)[nH]c1=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is PZBJIBCBMDBQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O3/c17-12-3-1-2-4-13(12)19-7-9-20(10-8-19)15(23)11-21-6-5-14(22)18-16(21)24/h1-6H,7-11H2,(H,18,22,24).
What are the key properties of 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 332.34 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 25343856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).