3-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-6-(4-fluorophenyl)-3,4-dihydropyrimidin-4-one

C23H23FN4O2 — CID 25884627

IUPAC3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-(4-fluorophenyl)pyrimidin-4-one
SMILESC1CN(CCN1CC2=CC=CC=C2)C(=O)CN3C=NC(=CC3=O)C4=CC=C(C=C4)F
InChIInChI=1S/C23H23FN4O2/c24-20-8-6-19(7-9-20)21-14-22(29)28(17-25-21)16-23(30)27-12-10-26(11-13-27)15-18-4-2-1-3-5-18/h1-9,14,17H,10-13,15-16H2
InChIKeyBWMGQUKVUVBALW-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.00
Rot. Bonds5

About 3-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-6-(4-fluorophenyl)-3,4-dihydropyrimidin-4-one

3-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-6-(4-fluorophenyl)-3,4-dihydropyrimidin-4-one (PubChem CID 25884627) has the molecular formula C23H23FN4O2 and a molecular weight of 406.50 g/mol. Its IUPAC name is 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-(4-fluorophenyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-6-(4-fluorophenyl)-3,4-dihydropyrimidin-4-one
PubChem CID25884627
Molecular FormulaC23H23FN4O2
Molecular Weight406.50 g/mol
Exact Mass406.18
IUPAC Name3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-(4-fluorophenyl)pyrimidin-4-one
SMILESC1CN(CCN1CC2=CC=CC=C2)C(=O)CN3C=NC(=CC3=O)C4=CC=C(C=C4)F
InChIInChI=1S/C23H23FN4O2/c24-20-8-6-19(7-9-20)21-14-22(29)28(17-25-21)16-23(30)27-12-10-26(11-13-27)15-18-4-2-1-3-5-18/h1-9,14,17H,10-13,15-16H2
InChIKeyBWMGQUKVUVBALW-UHFFFAOYSA-N
XLogP2.00
TPSA56.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity673

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-6-(4-fluorophenyl)-3,4-dihydropyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Phenyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]pyrimidin-4-one
CID 134130379
3-[5-(4-Benzylpiperazin-1-yl)pentyl]-6-phenylpyrimidin-4-one
CID 134131151
N'-[1-[(4-fluorophenyl)methyl]-4-methyl-6-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide
CID 9657452
2-(4-fluorophenyl)-3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-methylpyrimidin-4(3H)-one
CID 49807284
2-(4-Fluorophenyl)-3-{2-[4-(2-fluorophenyl)piperazin-1-YL]-2-oxoethyl}-6-methyl-3,4-dihydropyrimidin-4-one
CID 91887425
1-Acetyl-4-benzyl-3-(phenylmethylene)tetrahydro-2,5-pyrazinedione
CID 5524197
2-[[4-[Bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 16334275
2-[[4-[Bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 17411416
3-(2-{4-[Bis(4-fluoro-phenyl)-methyl]piperazine-1-yl}-ethyl)-2-methyl-pyrido[1,2-a]pyrimidin-4-one
CID 44414008
3-{[4-(4-fluorobenzyl)-3-oxo-1-piperazinyl]carbonyl}-4H-pyrido[1,2-a]pyrimidin-4-one
CID 45932620
2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-methyl-6-oxopyrimidin-1(6H)-yl]-N-(4-fluorobenzyl)acetamide
CID 49813446
2-(4-benzylpiperazin-1-yl)-6-phenylpyrimidin-4(3H)-one
CID 135485478

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-6-(4-fluorophenyl)-3,4-dihydropyrimidin-4-one?
The IUPAC name of 3-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-6-(4-fluorophenyl)-3,4-dihydropyrimidin-4-one (CID 25884627) is 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-(4-fluorophenyl)pyrimidin-4-one.
What is the SMILES notation for 3-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-6-(4-fluorophenyl)-3,4-dihydropyrimidin-4-one?
The canonical SMILES for 3-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-6-(4-fluorophenyl)-3,4-dihydropyrimidin-4-one is C1CN(CCN1CC2=CC=CC=C2)C(=O)CN3C=NC(=CC3=O)C4=CC=C(C=C4)F.
What is the InChIKey of 3-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-6-(4-fluorophenyl)-3,4-dihydropyrimidin-4-one?
The InChIKey is BWMGQUKVUVBALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c24-20-8-6-19(7-9-20)21-14-22(29)28(17-25-21)16-23(30)27-12-10-26(11-13-27)15-18-4-2-1-3-5-18/h1-9,14,17H,10-13,15-16H2.
What are the key properties of 3-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-6-(4-fluorophenyl)-3,4-dihydropyrimidin-4-one?
3-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-6-(4-fluorophenyl)-3,4-dihydropyrimidin-4-one has a molecular weight of 406.50 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-6-(4-fluorophenyl)-3,4-dihydropyrimidin-4-one is sourced from PubChem (CID 25884627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).