5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione

C18H22N4O4 — CID 84556273

IUPAC5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1ccccc1N1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C18H22N4O4/c1-19-12-13(16(23)20(2)18(19)25)17(24)22-10-8-21(9-11-22)14-6-4-5-7-15(14)26-3/h4-7,12H,8-11H2,1-3H3
InChIKeyXGALBKBDTLNAIS-UHFFFAOYSA-N
MW358.40 g/mol
LogP0.05
Rot. Bonds3

About 5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione

5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 84556273) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID84556273
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1ccccc1N1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C18H22N4O4/c1-19-12-13(16(23)20(2)18(19)25)17(24)22-10-8-21(9-11-22)14-6-4-5-7-15(14)26-3/h4-7,12H,8-11H2,1-3H3
InChIKeyXGALBKBDTLNAIS-UHFFFAOYSA-N
XLogP0.05
TPSA76.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-methylindol-3-yl)methanone
CID 9034036
5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 84556281
(5-methoxy-1-methylindol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 71701857
(2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 1049087
6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione
CID 42175983
(1,5-dimethylpyrazol-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 51309191
2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]pyridin-4-one
CID 53134494
2-(4-methoxyphenyl)-6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methyl-1,2,4-triazine-3,5-dione
CID 53008450
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylsulfonylphenyl)methanone
CID 31301024
N-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 1108322
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone
CID 17224606

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione (CID 84556273) is 5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione is COc1ccccc1N1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1.
What is the InChIKey of 5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is XGALBKBDTLNAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-19-12-13(16(23)20(2)18(19)25)17(24)22-10-8-21(9-11-22)14-6-4-5-7-15(14)26-3/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 358.40 g/mol, XLogP of 0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 84556273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).