4-(2,5-dimethoxybenzoyl)-3,3-dimethylpiperazin-2-one

C15H20N2O4 — CID 16863923

IUPAC4-(2,5-dimethoxybenzoyl)-3,3-dimethylpiperazin-2-one
SMILESCOc1ccc(OC)c(C(=O)N2CCNC(=O)C2(C)C)c1
InChIInChI=1S/C15H20N2O4/c1-15(2)14(19)16-7-8-17(15)13(18)11-9-10(20-3)5-6-12(11)21-4/h5-6,9H,7-8H2,1-4H3,(H,16,19)
InChIKeyTWMVJDRJRXVUJD-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.05
Rot. Bonds3

About 4-(2,5-dimethoxybenzoyl)-3,3-dimethylpiperazin-2-one

4-(2,5-dimethoxybenzoyl)-3,3-dimethylpiperazin-2-one (PubChem CID 16863923) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-(2,5-dimethoxybenzoyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(2,5-dimethoxybenzoyl)-3,3-dimethylpiperazin-2-one
PubChem CID16863923
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name4-(2,5-dimethoxybenzoyl)-3,3-dimethylpiperazin-2-one
SMILESCOc1ccc(OC)c(C(=O)N2CCNC(=O)C2(C)C)c1
InChIInChI=1S/C15H20N2O4/c1-15(2)14(19)16-7-8-17(15)13(18)11-9-10(20-3)5-6-12(11)21-4/h5-6,9H,7-8H2,1-4H3,(H,16,19)
InChIKeyTWMVJDRJRXVUJD-UHFFFAOYSA-N
XLogP1.05
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxy-5-methylbenzoyl)-3,3-dimethylpiperazin-2-one
CID 63608428
4-(4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863757
4-(3-methoxy-4-methylbenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362140
4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 63596087
3,3-dimethyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one
CID 16863762
4-(4-fluoro-3-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 81005031
4-(2,4-dimethylbenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362304
(2,5-dimethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119401629
4-(2-chlorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362538
3,3-dimethyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one
CID 16863828
4-(2-bromo-4-fluorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362378
4-(2,5-dimethoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 16864034

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxybenzoyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(2,5-dimethoxybenzoyl)-3,3-dimethylpiperazin-2-one (CID 16863923) is 4-(2,5-dimethoxybenzoyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(2,5-dimethoxybenzoyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(2,5-dimethoxybenzoyl)-3,3-dimethylpiperazin-2-one is COc1ccc(OC)c(C(=O)N2CCNC(=O)C2(C)C)c1.
What is the InChIKey of 4-(2,5-dimethoxybenzoyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is TWMVJDRJRXVUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(2)14(19)16-7-8-17(15)13(18)11-9-10(20-3)5-6-12(11)21-4/h5-6,9H,7-8H2,1-4H3,(H,16,19).
What are the key properties of 4-(2,5-dimethoxybenzoyl)-3,3-dimethylpiperazin-2-one?
4-(2,5-dimethoxybenzoyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 292.34 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxybenzoyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 16863923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).