5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-[(2-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione

C24H23FN4O4 — CID 121026860

IUPAC5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-[(2-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3c[nH]c(=O)n(Cc4ccccc4F)c3=O)CC2)cc1
InChIInChI=1S/C24H23FN4O4/c1-16(30)17-6-8-19(9-7-17)27-10-12-28(13-11-27)22(31)20-14-26-24(33)29(23(20)32)15-18-4-2-3-5-21(18)25/h2-9,14H,10-13,15H2,1H3,(H,26,33)
InChIKeyOHETYDMUAVUWEW-UHFFFAOYSA-N
MW450.47 g/mol
LogP1.89
Rot. Bonds5

About 5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-[(2-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione

5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-[(2-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 121026860) has the molecular formula C24H23FN4O4 and a molecular weight of 450.47 g/mol. Its IUPAC name is 5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-[(2-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-[(2-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID121026860
Molecular FormulaC24H23FN4O4
Molecular Weight450.47 g/mol
Exact Mass450.17
IUPAC Name5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-[(2-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3c[nH]c(=O)n(Cc4ccccc4F)c3=O)CC2)cc1
InChIInChI=1S/C24H23FN4O4/c1-16(30)17-6-8-19(9-7-17)27-10-12-28(13-11-27)22(31)20-14-26-24(33)29(23(20)32)15-18-4-2-3-5-21(18)25/h2-9,14H,10-13,15H2,1H3,(H,26,33)
InChIKeyOHETYDMUAVUWEW-UHFFFAOYSA-N
XLogP1.89
TPSA95.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 121025855
5-(4-cyclohexylpiperazine-1-carbonyl)-3-[(2-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
CID 121026961
3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
CID 165435259
3-[(2-fluorophenyl)methyl]-5-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 121026825
3-[(2-chlorophenyl)methyl]-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 71778444
1-[4-[4-(2,6-difluorobenzoyl)piperazin-1-yl]phenyl]ethanone
CID 43008395
5-(4-acetylpiperazine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 121026137
5-(4-acetylpiperazine-1-carbonyl)-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 121025767
3-[(2-chlorophenyl)methyl]-5-[4-(6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 121027345
1-[(2-fluorophenyl)methyl]-3-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-1,3-diazinan-2-one
CID 50814106
(2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 798980
4-(4-acetylphenyl)-N-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113114215

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-[(2-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-[(2-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione (CID 121026860) is 5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-[(2-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-[(2-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-[(2-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione is CC(=O)c1ccc(N2CCN(C(=O)c3c[nH]c(=O)n(Cc4ccccc4F)c3=O)CC2)cc1.
What is the InChIKey of 5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-[(2-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is OHETYDMUAVUWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O4/c1-16(30)17-6-8-19(9-7-17)27-10-12-28(13-11-27)22(31)20-14-26-24(33)29(23(20)32)15-18-4-2-3-5-21(18)25/h2-9,14H,10-13,15H2,1H3,(H,26,33).
What are the key properties of 5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-[(2-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione?
5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-[(2-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 450.47 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-[(2-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 121026860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).