5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrimidin-6-one

C18H22N4O3 — CID 136890092

IUPAC5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCOc1ccc(N2CCN(C(=O)c3c(C)nc(C)[nH]c3=O)CC2)cc1
InChIInChI=1S/C18H22N4O3/c1-12-16(17(23)20-13(2)19-12)18(24)22-10-8-21(9-11-22)14-4-6-15(25-3)7-5-14/h4-7H,8-11H2,1-3H3,(H,19,20,23)
InChIKeyKPIGYFQSXDBWMN-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.36
Rot. Bonds3

About 5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrimidin-6-one

5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 136890092) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID136890092
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCOc1ccc(N2CCN(C(=O)c3c(C)nc(C)[nH]c3=O)CC2)cc1
InChIInChI=1S/C18H22N4O3/c1-12-16(17(23)20-13(2)19-12)18(24)22-10-8-21(9-11-22)14-4-6-15(25-3)7-5-14/h4-7H,8-11H2,1-3H3,(H,19,20,23)
InChIKeyKPIGYFQSXDBWMN-UHFFFAOYSA-N
XLogP1.36
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.36
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

(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 2164712
(2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113077374
(2,6-difluorophenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 896999
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyridin-4-one
CID 110856456
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methylpyridazin-3-yl)methanone
CID 110705277
1-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 9159086
[4-(4-methoxyphenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 51211150
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135532108
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 137147289
(6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4909282
(4,5-dimethyl-1,2-oxazol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 110856418

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrimidin-6-one (CID 136890092) is 5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrimidin-6-one is COc1ccc(N2CCN(C(=O)c3c(C)nc(C)[nH]c3=O)CC2)cc1.
What is the InChIKey of 5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is KPIGYFQSXDBWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-16(17(23)20-13(2)19-12)18(24)22-10-8-21(9-11-22)14-4-6-15(25-3)7-5-14/h4-7H,8-11H2,1-3H3,(H,19,20,23).
What are the key properties of 5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrimidin-6-one?
5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 342.40 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136890092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).