1-[(4-methoxyphenyl)methyl]-4-(6-methoxypyrimidin-4-yl)piperazin-2-one

C17H20N4O3 — CID 39834353

IUPAC1-[(4-methoxyphenyl)methyl]-4-(6-methoxypyrimidin-4-yl)piperazin-2-one
SMILESCOc1ccc(CN2CCN(c3cc(OC)ncn3)CC2=O)cc1
InChIInChI=1S/C17H20N4O3/c1-23-14-5-3-13(4-6-14)10-21-8-7-20(11-17(21)22)15-9-16(24-2)19-12-18-15/h3-6,9,12H,7-8,10-11H2,1-2H3
InChIKeyQXRQASQTTGOFJA-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.34
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-4-(6-methoxypyrimidin-4-yl)piperazin-2-one

1-[(4-methoxyphenyl)methyl]-4-(6-methoxypyrimidin-4-yl)piperazin-2-one (PubChem CID 39834353) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-4-(6-methoxypyrimidin-4-yl)piperazin-2-one.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-4-(6-methoxypyrimidin-4-yl)piperazin-2-one
PubChem CID39834353
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name1-[(4-methoxyphenyl)methyl]-4-(6-methoxypyrimidin-4-yl)piperazin-2-one
SMILESCOc1ccc(CN2CCN(c3cc(OC)ncn3)CC2=O)cc1
InChIInChI=1S/C17H20N4O3/c1-23-14-5-3-13(4-6-14)10-21-8-7-20(11-17(21)22)15-9-16(24-2)19-12-18-15/h3-6,9,12H,7-8,10-11H2,1-2H3
InChIKeyQXRQASQTTGOFJA-UHFFFAOYSA-N
XLogP1.34
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-methoxyphenyl)methyl]-4-(5-methoxypyrimidin-2-yl)piperazin-2-one
CID 70726206
4-methoxy-6-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
CID 155800641
1-[(3-methoxyphenyl)methyl]-4-(2-propan-2-ylpyrimidin-4-yl)piperazin-2-one
CID 165433319
1-(2-methoxy-4-pyridinyl)-4-(6-methoxypyrimidin-4-yl)piperazin-2-one
CID 155974547
2-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]pyridine-4-carboxamide
CID 72938937
4-(4,6-dimethylpyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 39773361
1-[(4-methoxyphenyl)methyl]-4-[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one
CID 46988685
1-[(3-fluorophenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-2-one
CID 133353797
1-[(3-methoxyphenyl)methyl]-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-one
CID 165435293
4-(5-bromo-4-methoxypyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 166601593
5-chloro-4-[4-[(6-methoxy-3-pyridinyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
CID 138483793
4-[6-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]pyridazin-3-yl]-1-[(4-methoxyphenyl)methyl]piperazin-2-one
CID 172561433

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-(6-methoxypyrimidin-4-yl)piperazin-2-one?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-(6-methoxypyrimidin-4-yl)piperazin-2-one (CID 39834353) is 1-[(4-methoxyphenyl)methyl]-4-(6-methoxypyrimidin-4-yl)piperazin-2-one.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-4-(6-methoxypyrimidin-4-yl)piperazin-2-one?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-4-(6-methoxypyrimidin-4-yl)piperazin-2-one is COc1ccc(CN2CCN(c3cc(OC)ncn3)CC2=O)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-4-(6-methoxypyrimidin-4-yl)piperazin-2-one?
The InChIKey is QXRQASQTTGOFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-23-14-5-3-13(4-6-14)10-21-8-7-20(11-17(21)22)15-9-16(24-2)19-12-18-15/h3-6,9,12H,7-8,10-11H2,1-2H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-4-(6-methoxypyrimidin-4-yl)piperazin-2-one?
1-[(4-methoxyphenyl)methyl]-4-(6-methoxypyrimidin-4-yl)piperazin-2-one has a molecular weight of 328.37 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-4-(6-methoxypyrimidin-4-yl)piperazin-2-one is sourced from PubChem (CID 39834353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).