6-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione

C17H20N4O4 — CID 110109729

IUPAC6-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(C2CN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)CCN2C)cc1
InChIInChI=1S/C17H20N4O4/c1-20-7-8-21(16(23)13-9-15(22)19-17(24)18-13)10-14(20)11-3-5-12(25-2)6-4-11/h3-6,9,14H,7-8,10H2,1-2H3,(H2,18,19,22,24)
InChIKeyYCNWEYLAPDADJP-UHFFFAOYSA-N
MW344.37 g/mol
LogP0.20
Rot. Bonds3

About 6-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione

6-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 110109729) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 6-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID110109729
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name6-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(C2CN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)CCN2C)cc1
InChIInChI=1S/C17H20N4O4/c1-20-7-8-21(16(23)13-9-15(22)19-17(24)18-13)10-14(20)11-3-5-12(25-2)6-4-11/h3-6,9,14H,7-8,10H2,1-2H3,(H2,18,19,22,24)
InChIKeyYCNWEYLAPDADJP-UHFFFAOYSA-N
XLogP0.20
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-thiophen-3-ylmethanone
CID 110109712
5-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1-methylpyridin-2-one
CID 110109723
[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 110098385
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 124977561
[(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 124953934
(2,6-dimethoxyphenyl)-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293276
6-[2-(3-methoxyphenyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 70774580
(4-methoxy-2-pyridinyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 90652453
6-[3-(4-chlorophenyl)azepane-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 121146641
6-(3-aminoazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 65244753
6-(3-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 61297937
(2-methoxyphenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110418480

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 110109729) is 6-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione is COc1ccc(C2CN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)CCN2C)cc1.
What is the InChIKey of 6-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is YCNWEYLAPDADJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-20-7-8-21(16(23)13-9-15(22)19-17(24)18-13)10-14(20)11-3-5-12(25-2)6-4-11/h3-6,9,14H,7-8,10H2,1-2H3,(H2,18,19,22,24).
What are the key properties of 6-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
6-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 344.37 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 110109729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).