6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

C16H17FN4O3 — CID 110700048

IUPAC6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H17FN4O3/c17-12-3-1-2-4-13(12)20-5-7-21(8-6-20)15(23)10-11-9-14(22)19-16(24)18-11/h1-4,9H,5-8,10H2,(H2,18,19,22,24)
InChIKeyYDWKRONTJZAVKE-UHFFFAOYSA-N
MW332.34 g/mol
LogP0.09
Rot. Bonds3

About 6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 110700048) has the molecular formula C16H17FN4O3 and a molecular weight of 332.34 g/mol. Its IUPAC name is 6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID110700048
Molecular FormulaC16H17FN4O3
Molecular Weight332.34 g/mol
Exact Mass332.13
IUPAC Name6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H17FN4O3/c17-12-3-1-2-4-13(12)20-5-7-21(8-6-20)15(23)10-11-9-14(22)19-16(24)18-11/h1-4,9H,5-8,10H2,(H2,18,19,22,24)
InChIKeyYDWKRONTJZAVKE-UHFFFAOYSA-N
XLogP0.09
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-fluorophenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 100751498
6-ethyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 74247706
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 25343856
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 20969017
2-(2,5-dimethylphenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 92681315
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-phenoxyethanone
CID 807242
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 30147887
2-(5-amino-2-pyridinyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 120639325
4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
CID 22692254

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 110700048) is 6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is YDWKRONTJZAVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O3/c17-12-3-1-2-4-13(12)20-5-7-21(8-6-20)15(23)10-11-9-14(22)19-16(24)18-11/h1-4,9H,5-8,10H2,(H2,18,19,22,24).
What are the key properties of 6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 332.34 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 110700048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).