4-(3-methoxy-4-methylbenzoyl)-3,3-dimethylpiperazin-2-one

C15H20N2O3 — CID 63362140

IUPAC4-(3-methoxy-4-methylbenzoyl)-3,3-dimethylpiperazin-2-one
SMILESCOc1cc(C(=O)N2CCNC(=O)C2(C)C)ccc1C
InChIInChI=1S/C15H20N2O3/c1-10-5-6-11(9-12(10)20-4)13(18)17-8-7-16-14(19)15(17,2)3/h5-6,9H,7-8H2,1-4H3,(H,16,19)
InChIKeyJALACYYOXMXBAG-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.35
Rot. Bonds2

About 4-(3-methoxy-4-methylbenzoyl)-3,3-dimethylpiperazin-2-one

4-(3-methoxy-4-methylbenzoyl)-3,3-dimethylpiperazin-2-one (PubChem CID 63362140) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-(3-methoxy-4-methylbenzoyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(3-methoxy-4-methylbenzoyl)-3,3-dimethylpiperazin-2-one
PubChem CID63362140
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-(3-methoxy-4-methylbenzoyl)-3,3-dimethylpiperazin-2-one
SMILESCOc1cc(C(=O)N2CCNC(=O)C2(C)C)ccc1C
InChIInChI=1S/C15H20N2O3/c1-10-5-6-11(9-12(10)20-4)13(18)17-8-7-16-14(19)15(17,2)3/h5-6,9H,7-8H2,1-4H3,(H,16,19)
InChIKeyJALACYYOXMXBAG-UHFFFAOYSA-N
XLogP1.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluoro-3-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 81005031
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-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863757
4-(2-methoxy-5-methylbenzoyl)-3,3-dimethylpiperazin-2-one
CID 63608428
4-(2,5-dimethoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863923
4-(3,4-difluorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362058
4-(2,4-dimethylbenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362304
4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazin-2-one
CID 63744029
4-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)benzenecarbothioamide
CID 63606089
4-[4-(dimethylamino)benzoyl]-3,3-dimethylpiperazin-2-one
CID 63606700
3,3-dimethyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one
CID 16863828

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-4-methylbenzoyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(3-methoxy-4-methylbenzoyl)-3,3-dimethylpiperazin-2-one (CID 63362140) is 4-(3-methoxy-4-methylbenzoyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(3-methoxy-4-methylbenzoyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(3-methoxy-4-methylbenzoyl)-3,3-dimethylpiperazin-2-one is COc1cc(C(=O)N2CCNC(=O)C2(C)C)ccc1C.
What is the InChIKey of 4-(3-methoxy-4-methylbenzoyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is JALACYYOXMXBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-5-6-11(9-12(10)20-4)13(18)17-8-7-16-14(19)15(17,2)3/h5-6,9H,7-8H2,1-4H3,(H,16,19).
What are the key properties of 4-(3-methoxy-4-methylbenzoyl)-3,3-dimethylpiperazin-2-one?
4-(3-methoxy-4-methylbenzoyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 276.34 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-4-methylbenzoyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63362140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).