1-(3,5-dimethoxyphenyl)-4-(2,2-dimethylpropanoyl)-3-methylpiperazin-2-one

C18H26N2O4 — CID 24716466

IUPAC1-(3,5-dimethoxyphenyl)-4-(2,2-dimethylpropanoyl)-3-methylpiperazin-2-one
SMILESCOc1cc(OC)cc(N2CCN(C(=O)C(C)(C)C)C(C)C2=O)c1
InChIInChI=1S/C18H26N2O4/c1-12-16(21)20(8-7-19(12)17(22)18(2,3)4)13-9-14(23-5)11-15(10-13)24-6/h9-12H,7-8H2,1-6H3
InChIKeyKISUMIKQKMXBJI-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.31
Rot. Bonds3

About 1-(3,5-dimethoxyphenyl)-4-(2,2-dimethylpropanoyl)-3-methylpiperazin-2-one

1-(3,5-dimethoxyphenyl)-4-(2,2-dimethylpropanoyl)-3-methylpiperazin-2-one (PubChem CID 24716466) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-4-(2,2-dimethylpropanoyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-4-(2,2-dimethylpropanoyl)-3-methylpiperazin-2-one
PubChem CID24716466
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name1-(3,5-dimethoxyphenyl)-4-(2,2-dimethylpropanoyl)-3-methylpiperazin-2-one
SMILESCOc1cc(OC)cc(N2CCN(C(=O)C(C)(C)C)C(C)C2=O)c1
InChIInChI=1S/C18H26N2O4/c1-12-16(21)20(8-7-19(12)17(22)18(2,3)4)13-9-14(23-5)11-15(10-13)24-6/h9-12H,7-8H2,1-6H3
InChIKeyKISUMIKQKMXBJI-UHFFFAOYSA-N
XLogP2.31
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-4-(2,2-dimethylpropanoyl)-3-methylpiperazin-2-one?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-4-(2,2-dimethylpropanoyl)-3-methylpiperazin-2-one (CID 24716466) is 1-(3,5-dimethoxyphenyl)-4-(2,2-dimethylpropanoyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-4-(2,2-dimethylpropanoyl)-3-methylpiperazin-2-one?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-4-(2,2-dimethylpropanoyl)-3-methylpiperazin-2-one is COc1cc(OC)cc(N2CCN(C(=O)C(C)(C)C)C(C)C2=O)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-4-(2,2-dimethylpropanoyl)-3-methylpiperazin-2-one?
The InChIKey is KISUMIKQKMXBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-12-16(21)20(8-7-19(12)17(22)18(2,3)4)13-9-14(23-5)11-15(10-13)24-6/h9-12H,7-8H2,1-6H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-4-(2,2-dimethylpropanoyl)-3-methylpiperazin-2-one?
1-(3,5-dimethoxyphenyl)-4-(2,2-dimethylpropanoyl)-3-methylpiperazin-2-one has a molecular weight of 334.42 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-4-(2,2-dimethylpropanoyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 24716466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).