5-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione

C18H22N4O4 — CID 70788614

IUPAC5-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCOc1ccccc1N1CCN(C(=O)c2c[nH]c(=O)[nH]c2=O)CC1(C)C
InChIInChI=1S/C18H22N4O4/c1-18(2)11-21(16(24)12-10-19-17(25)20-15(12)23)8-9-22(18)13-6-4-5-7-14(13)26-3/h4-7,10H,8-9,11H2,1-3H3,(H2,19,20,23,25)
InChIKeyZTMHWIYPCUAYNG-UHFFFAOYSA-N
MW358.40 g/mol
LogP0.81
Rot. Bonds3

About 5-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione

5-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 70788614) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 5-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID70788614
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name5-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCOc1ccccc1N1CCN(C(=O)c2c[nH]c(=O)[nH]c2=O)CC1(C)C
InChIInChI=1S/C18H22N4O4/c1-18(2)11-21(16(24)12-10-19-17(25)20-15(12)23)8-9-22(18)13-6-4-5-7-14(13)26-3/h4-7,10H,8-9,11H2,1-3H3,(H2,19,20,23,25)
InChIKeyZTMHWIYPCUAYNG-UHFFFAOYSA-N
XLogP0.81
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 70709938
6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 70743886
[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 70764465
5-[(4R)-3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 126427938
1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one
CID 70720201
5-[(3S)-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 97153305
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 90517045
5-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 110854947
3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methyl-1H-quinolin-4-one
CID 15675285
2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
CID 42682738
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 2557287

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 70788614) is 5-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione is COc1ccccc1N1CCN(C(=O)c2c[nH]c(=O)[nH]c2=O)CC1(C)C.
What is the InChIKey of 5-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is ZTMHWIYPCUAYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-18(2)11-21(16(24)12-10-19-17(25)20-15(12)23)8-9-22(18)13-6-4-5-7-14(13)26-3/h4-7,10H,8-9,11H2,1-3H3,(H2,19,20,23,25).
What are the key properties of 5-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
5-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 358.40 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70788614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).