3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyrimidin-4-one

C24H26N4O3 — CID 121063732

IUPAC3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyrimidin-4-one
SMILESCOc1cccc(N2CCN(C(=O)Cn3cnc(-c4ccc(C)cc4)cc3=O)CC2)c1
InChIInChI=1S/C24H26N4O3/c1-18-6-8-19(9-7-18)22-15-23(29)28(17-25-22)16-24(30)27-12-10-26(11-13-27)20-4-3-5-21(14-20)31-2/h3-9,14-15,17H,10-13,16H2,1-2H3
InChIKeyZLHSYRZIPPGQCK-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.58
Rot. Bonds5

About 3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyrimidin-4-one

3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyrimidin-4-one (PubChem CID 121063732) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyrimidin-4-one
PubChem CID121063732
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyrimidin-4-one
SMILESCOc1cccc(N2CCN(C(=O)Cn3cnc(-c4ccc(C)cc4)cc3=O)CC2)c1
InChIInChI=1S/C24H26N4O3/c1-18-6-8-19(9-7-18)22-15-23(29)28(17-25-22)16-24(30)27-12-10-26(11-13-27)20-4-3-5-21(14-20)31-2/h3-9,14-15,17H,10-13,16H2,1-2H3
InChIKeyZLHSYRZIPPGQCK-UHFFFAOYSA-N
XLogP2.58
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyrimidin-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

3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 38599623
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]ethanone
CID 50837034
6-(4-ethylphenyl)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 121050965
6-ethyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 121064411
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyrimidin-4-one
CID 121090524
4-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzaldehyde
CID 78878555
3-[2-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-6-phenylpyrimidin-4-one
CID 121107345
3-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-6-propan-2-ylpyrimidin-4-one
CID 121060198
3-(4-methoxyphenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 8001578
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]sulfanylethanone
CID 50834410
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
CID 9348036
3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 9273589

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyrimidin-4-one?
The IUPAC name of 3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyrimidin-4-one (CID 121063732) is 3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyrimidin-4-one.
What is the SMILES notation for 3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyrimidin-4-one?
The canonical SMILES for 3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyrimidin-4-one is COc1cccc(N2CCN(C(=O)Cn3cnc(-c4ccc(C)cc4)cc3=O)CC2)c1.
What is the InChIKey of 3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyrimidin-4-one?
The InChIKey is ZLHSYRZIPPGQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-18-6-8-19(9-7-18)22-15-23(29)28(17-25-22)16-24(30)27-12-10-26(11-13-27)20-4-3-5-21(14-20)31-2/h3-9,14-15,17H,10-13,16H2,1-2H3.
What are the key properties of 3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyrimidin-4-one?
3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyrimidin-4-one has a molecular weight of 418.50 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyrimidin-4-one is sourced from PubChem (CID 121063732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).