1-[(4-methoxyphenyl)methyl]-4-(5-methoxypyrimidin-2-yl)piperazin-2-one

C17H20N4O3 — CID 70726206

IUPAC1-[(4-methoxyphenyl)methyl]-4-(5-methoxypyrimidin-2-yl)piperazin-2-one
SMILESCOc1ccc(CN2CCN(c3ncc(OC)cn3)CC2=O)cc1
InChIInChI=1S/C17H20N4O3/c1-23-14-5-3-13(4-6-14)11-20-7-8-21(12-16(20)22)17-18-9-15(24-2)10-19-17/h3-6,9-10H,7-8,11-12H2,1-2H3
InChIKeyDCQIGMGSVDQFJI-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.34
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-4-(5-methoxypyrimidin-2-yl)piperazin-2-one

1-[(4-methoxyphenyl)methyl]-4-(5-methoxypyrimidin-2-yl)piperazin-2-one (PubChem CID 70726206) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-4-(5-methoxypyrimidin-2-yl)piperazin-2-one.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-4-(5-methoxypyrimidin-2-yl)piperazin-2-one
PubChem CID70726206
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name1-[(4-methoxyphenyl)methyl]-4-(5-methoxypyrimidin-2-yl)piperazin-2-one
SMILESCOc1ccc(CN2CCN(c3ncc(OC)cn3)CC2=O)cc1
InChIInChI=1S/C17H20N4O3/c1-23-14-5-3-13(4-6-14)11-20-7-8-21(12-16(20)22)17-18-9-15(24-2)10-19-17/h3-6,9-10H,7-8,11-12H2,1-2H3
InChIKeyDCQIGMGSVDQFJI-UHFFFAOYSA-N
XLogP1.34
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-methoxyphenyl)methyl]-4-(6-methoxypyrimidin-4-yl)piperazin-2-one
CID 39834353
4-(5-bromo-4-methoxypyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 166601593
1-[(3-methoxyphenyl)methyl]-4-(7-methylpurin-2-yl)piperazin-2-one
CID 157019296
1-[(4-methoxyphenyl)methyl]-4-[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one
CID 46988685
4-(4,6-dimethylpyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 39773361
5-chloro-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
CID 75424158
1-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one
CID 31074075
5-chloro-4-[4-[(6-methoxy-3-pyridinyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
CID 138483793
1-[(4-methoxyphenyl)methyl]-4-[[(3S)-piperidin-3-yl]methyl]piperazin-2-one
CID 95863305
1-[(4-methoxyphenyl)methyl]-4-(4-propylbenzoyl)piperazin-2-one
CID 70767558
1-benzyl-4-(4-methoxybenzoyl)piperazin-2-one
CID 145164386
1-[(3-methoxyphenyl)methyl]-4-(2-propan-2-ylpyrimidin-4-yl)piperazin-2-one
CID 165433319

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-(5-methoxypyrimidin-2-yl)piperazin-2-one?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-(5-methoxypyrimidin-2-yl)piperazin-2-one (CID 70726206) is 1-[(4-methoxyphenyl)methyl]-4-(5-methoxypyrimidin-2-yl)piperazin-2-one.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-4-(5-methoxypyrimidin-2-yl)piperazin-2-one?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-4-(5-methoxypyrimidin-2-yl)piperazin-2-one is COc1ccc(CN2CCN(c3ncc(OC)cn3)CC2=O)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-4-(5-methoxypyrimidin-2-yl)piperazin-2-one?
The InChIKey is DCQIGMGSVDQFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-23-14-5-3-13(4-6-14)11-20-7-8-21(12-16(20)22)17-18-9-15(24-2)10-19-17/h3-6,9-10H,7-8,11-12H2,1-2H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-4-(5-methoxypyrimidin-2-yl)piperazin-2-one?
1-[(4-methoxyphenyl)methyl]-4-(5-methoxypyrimidin-2-yl)piperazin-2-one has a molecular weight of 328.37 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-4-(5-methoxypyrimidin-2-yl)piperazin-2-one is sourced from PubChem (CID 70726206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).