2-[4-(4-methoxybenzoyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one

C18H22N4O3 — CID 135532108

IUPAC2-[4-(4-methoxybenzoyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCOc1ccc(C(=O)N2CCN(c3nc(C)c(C)c(=O)[nH]3)CC2)cc1
InChIInChI=1S/C18H22N4O3/c1-12-13(2)19-18(20-16(12)23)22-10-8-21(9-11-22)17(24)14-4-6-15(25-3)7-5-14/h4-7H,8-11H2,1-3H3,(H,19,20,23)
InChIKeyWJRMXUFXVBTIBF-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.36
Rot. Bonds3

About 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one

2-[4-(4-methoxybenzoyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 135532108) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(4-methoxybenzoyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID135532108
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name2-[4-(4-methoxybenzoyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCOc1ccc(C(=O)N2CCN(c3nc(C)c(C)c(=O)[nH]3)CC2)cc1
InChIInChI=1S/C18H22N4O3/c1-12-13(2)19-18(20-16(12)23)22-10-8-21(9-11-22)17(24)14-4-6-15(25-3)7-5-14/h4-7H,8-11H2,1-3H3,(H,19,20,23)
InChIKeyWJRMXUFXVBTIBF-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

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Related Compounds

2-[4-(furan-2-carbonyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135448588
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
3-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one
CID 70752830
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136890092
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
(4-methoxyphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292395
[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 38472427
4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135933178
1-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 9159086
[4-(2,4-dimethylpyrimidine-5-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 70773461
[4-(2,6-dichlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 113080416

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one (CID 135532108) is 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one is COc1ccc(C(=O)N2CCN(c3nc(C)c(C)c(=O)[nH]3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is WJRMXUFXVBTIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-13(2)19-18(20-16(12)23)22-10-8-21(9-11-22)17(24)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 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-4,5-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 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135532108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).