4-(2-methoxy-5-methylbenzoyl)-3,3-dimethylpiperazin-2-one

C15H20N2O3 — CID 63608428

IUPAC4-(2-methoxy-5-methylbenzoyl)-3,3-dimethylpiperazin-2-one
SMILESCOc1ccc(C)cc1C(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C15H20N2O3/c1-10-5-6-12(20-4)11(9-10)13(18)17-8-7-16-14(19)15(17,2)3/h5-6,9H,7-8H2,1-4H3,(H,16,19)
InChIKeyBHMVMVIJUCMCEQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.35
Rot. Bonds2

About 4-(2-methoxy-5-methylbenzoyl)-3,3-dimethylpiperazin-2-one

4-(2-methoxy-5-methylbenzoyl)-3,3-dimethylpiperazin-2-one (PubChem CID 63608428) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-(2-methoxy-5-methylbenzoyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-methoxy-5-methylbenzoyl)-3,3-dimethylpiperazin-2-one
PubChem CID63608428
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-(2-methoxy-5-methylbenzoyl)-3,3-dimethylpiperazin-2-one
SMILESCOc1ccc(C)cc1C(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C15H20N2O3/c1-10-5-6-12(20-4)11(9-10)13(18)17-8-7-16-14(19)15(17,2)3/h5-6,9H,7-8H2,1-4H3,(H,16,19)
InChIKeyBHMVMVIJUCMCEQ-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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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-methylbenzoyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(2-methoxy-5-methylbenzoyl)-3,3-dimethylpiperazin-2-one (CID 63608428) is 4-(2-methoxy-5-methylbenzoyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(2-methoxy-5-methylbenzoyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(2-methoxy-5-methylbenzoyl)-3,3-dimethylpiperazin-2-one is COc1ccc(C)cc1C(=O)N1CCNC(=O)C1(C)C.
What is the InChIKey of 4-(2-methoxy-5-methylbenzoyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is BHMVMVIJUCMCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-5-6-12(20-4)11(9-10)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-(2-methoxy-5-methylbenzoyl)-3,3-dimethylpiperazin-2-one?
4-(2-methoxy-5-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-(2-methoxy-5-methylbenzoyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63608428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).