4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one

C16H18N4O3 — CID 137147289

IUPAC4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCOc1ccc(N2CCN(C(=O)c3cc(=O)[nH]cn3)CC2)cc1
InChIInChI=1S/C16H18N4O3/c1-23-13-4-2-12(3-5-13)19-6-8-20(9-7-19)16(22)14-10-15(21)18-11-17-14/h2-5,10-11H,6-9H2,1H3,(H,17,18,21)
InChIKeyLURAMCHMEPHEBV-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.74
Rot. Bonds3

About 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one

4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 137147289) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID137147289
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCOc1ccc(N2CCN(C(=O)c3cc(=O)[nH]cn3)CC2)cc1
InChIInChI=1S/C16H18N4O3/c1-23-13-4-2-12(3-5-13)19-6-8-20(9-7-19)16(22)14-10-15(21)18-11-17-14/h2-5,10-11H,6-9H2,1H3,(H,17,18,21)
InChIKeyLURAMCHMEPHEBV-UHFFFAOYSA-N
XLogP0.74
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 137147286
4-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 137147360
[4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203696
2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyridin-4-one
CID 110856456
4-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
CID 137147273
4-[4-(5-methoxypyrimidin-2-yl)oxypiperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 154583725
(4-bromo-3,5-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 55413833
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methylpyridazin-3-yl)methanone
CID 110705277
[4-(4-methoxyphenyl)piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 18192931
4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 137147367
[4-(4-methoxyphenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 51211150
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one (CID 137147289) is 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one is COc1ccc(N2CCN(C(=O)c3cc(=O)[nH]cn3)CC2)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is LURAMCHMEPHEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-23-13-4-2-12(3-5-13)19-6-8-20(9-7-19)16(22)14-10-15(21)18-11-17-14/h2-5,10-11H,6-9H2,1H3,(H,17,18,21).
What are the key properties of 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one?
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 314.35 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137147289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).