4-(2,4-dimethylbenzoyl)-3,3-dimethylpiperazin-2-one

C15H20N2O2 — CID 63362304

IUPAC4-(2,4-dimethylbenzoyl)-3,3-dimethylpiperazin-2-one
SMILESCc1ccc(C(=O)N2CCNC(=O)C2(C)C)c(C)c1
InChIInChI=1S/C15H20N2O2/c1-10-5-6-12(11(2)9-10)13(18)17-8-7-16-14(19)15(17,3)4/h5-6,9H,7-8H2,1-4H3,(H,16,19)
InChIKeyJRAMXMIKOYZGRQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.65
Rot. Bonds1

About 4-(2,4-dimethylbenzoyl)-3,3-dimethylpiperazin-2-one

4-(2,4-dimethylbenzoyl)-3,3-dimethylpiperazin-2-one (PubChem CID 63362304) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(2,4-dimethylbenzoyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(2,4-dimethylbenzoyl)-3,3-dimethylpiperazin-2-one
PubChem CID63362304
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-(2,4-dimethylbenzoyl)-3,3-dimethylpiperazin-2-one
SMILESCc1ccc(C(=O)N2CCNC(=O)C2(C)C)c(C)c1
InChIInChI=1S/C15H20N2O2/c1-10-5-6-12(11(2)9-10)13(18)17-8-7-16-14(19)15(17,3)4/h5-6,9H,7-8H2,1-4H3,(H,16,19)
InChIKeyJRAMXMIKOYZGRQ-UHFFFAOYSA-N
XLogP1.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylbenzoyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(2,4-dimethylbenzoyl)-3,3-dimethylpiperazin-2-one (CID 63362304) is 4-(2,4-dimethylbenzoyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(2,4-dimethylbenzoyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(2,4-dimethylbenzoyl)-3,3-dimethylpiperazin-2-one is Cc1ccc(C(=O)N2CCNC(=O)C2(C)C)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylbenzoyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is JRAMXMIKOYZGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-5-6-12(11(2)9-10)13(18)17-8-7-16-14(19)15(17,3)4/h5-6,9H,7-8H2,1-4H3,(H,16,19).
What are the key properties of 4-(2,4-dimethylbenzoyl)-3,3-dimethylpiperazin-2-one?
4-(2,4-dimethylbenzoyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylbenzoyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63362304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).