1-[(3-methoxyphenyl)methyl]-4-(7-methylpurin-2-yl)piperazin-2-one

C18H20N6O2 — CID 157019296

IUPAC1-[(3-methoxyphenyl)methyl]-4-(7-methylpurin-2-yl)piperazin-2-one
SMILESCOc1cccc(CN2CCN(c3ncc4c(ncn4C)n3)CC2=O)c1
InChIInChI=1S/C18H20N6O2/c1-22-12-20-17-15(22)9-19-18(21-17)24-7-6-23(16(25)11-24)10-13-4-3-5-14(8-13)26-2/h3-5,8-9,12H,6-7,10-11H2,1-2H3
InChIKeyRENZOOHPOZJBSW-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.22
Rot. Bonds4

About 1-[(3-methoxyphenyl)methyl]-4-(7-methylpurin-2-yl)piperazin-2-one

1-[(3-methoxyphenyl)methyl]-4-(7-methylpurin-2-yl)piperazin-2-one (PubChem CID 157019296) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-4-(7-methylpurin-2-yl)piperazin-2-one.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-4-(7-methylpurin-2-yl)piperazin-2-one
PubChem CID157019296
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name1-[(3-methoxyphenyl)methyl]-4-(7-methylpurin-2-yl)piperazin-2-one
SMILESCOc1cccc(CN2CCN(c3ncc4c(ncn4C)n3)CC2=O)c1
InChIInChI=1S/C18H20N6O2/c1-22-12-20-17-15(22)9-19-18(21-17)24-7-6-23(16(25)11-24)10-13-4-3-5-14(8-13)26-2/h3-5,8-9,12H,6-7,10-11H2,1-2H3
InChIKeyRENZOOHPOZJBSW-UHFFFAOYSA-N
XLogP1.22
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(5-bromo-4-methoxypyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 166601593
4-(4,6-dimethylpyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 39773361
1-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one
CID 31074075
1-[(4-methoxyphenyl)methyl]-4-(5-methoxypyrimidin-2-yl)piperazin-2-one
CID 70726206
1-[(3-methoxyphenyl)methyl]-4-(2-propan-2-ylpyrimidin-4-yl)piperazin-2-one
CID 165433319
2-[4-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]pyridine-3-carbonitrile
CID 171335654
1-[(3-methoxyphenyl)methyl]-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-one
CID 165435293
2-[(3-methoxyphenyl)methyl]-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-3-one
CID 70733639
1-[(4-methoxyphenyl)methyl]-4-[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one
CID 46988685
(5R)-2-[(3-methoxyphenyl)methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 97451671
1-[(4-methoxyphenyl)methyl]-4-(6-methoxypyrimidin-4-yl)piperazin-2-one
CID 39834353
1-[(3-methoxyphenyl)methyl]-4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-2-one
CID 70718784

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-4-(7-methylpurin-2-yl)piperazin-2-one?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-4-(7-methylpurin-2-yl)piperazin-2-one (CID 157019296) is 1-[(3-methoxyphenyl)methyl]-4-(7-methylpurin-2-yl)piperazin-2-one.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-4-(7-methylpurin-2-yl)piperazin-2-one?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-4-(7-methylpurin-2-yl)piperazin-2-one is COc1cccc(CN2CCN(c3ncc4c(ncn4C)n3)CC2=O)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-4-(7-methylpurin-2-yl)piperazin-2-one?
The InChIKey is RENZOOHPOZJBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-22-12-20-17-15(22)9-19-18(21-17)24-7-6-23(16(25)11-24)10-13-4-3-5-14(8-13)26-2/h3-5,8-9,12H,6-7,10-11H2,1-2H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-4-(7-methylpurin-2-yl)piperazin-2-one?
1-[(3-methoxyphenyl)methyl]-4-(7-methylpurin-2-yl)piperazin-2-one has a molecular weight of 352.40 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-4-(7-methylpurin-2-yl)piperazin-2-one is sourced from PubChem (CID 157019296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).