3-tert-butyl-1-(2,4-dichlorophenyl)-6-methylpiperazine-2,5-dione

C15H18Cl2N2O2 — CID 64961654

IUPAC3-tert-butyl-1-(2,4-dichlorophenyl)-6-methylpiperazine-2,5-dione
SMILESCC1C(=O)NC(C(C)(C)C)C(=O)N1c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H18Cl2N2O2/c1-8-13(20)18-12(15(2,3)4)14(21)19(8)11-6-5-9(16)7-10(11)17/h5-8,12H,1-4H3,(H,18,20)
InChIKeyGXBSBFTXXGDHDU-UHFFFAOYSA-N
MW329.23 g/mol
LogP3.26
Rot. Bonds1

About 3-tert-butyl-1-(2,4-dichlorophenyl)-6-methylpiperazine-2,5-dione

3-tert-butyl-1-(2,4-dichlorophenyl)-6-methylpiperazine-2,5-dione (PubChem CID 64961654) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is 3-tert-butyl-1-(2,4-dichlorophenyl)-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-1-(2,4-dichlorophenyl)-6-methylpiperazine-2,5-dione
PubChem CID64961654
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name3-tert-butyl-1-(2,4-dichlorophenyl)-6-methylpiperazine-2,5-dione
SMILESCC1C(=O)NC(C(C)(C)C)C(=O)N1c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H18Cl2N2O2/c1-8-13(20)18-12(15(2,3)4)14(21)19(8)11-6-5-9(16)7-10(11)17/h5-8,12H,1-4H3,(H,18,20)
InChIKeyGXBSBFTXXGDHDU-UHFFFAOYSA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(2,4-dichlorophenyl)-6-methylpiperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-1-(2,4-dichlorophenyl)-6-methylpiperazine-2,5-dione (CID 64961654) is 3-tert-butyl-1-(2,4-dichlorophenyl)-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-1-(2,4-dichlorophenyl)-6-methylpiperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-1-(2,4-dichlorophenyl)-6-methylpiperazine-2,5-dione is CC1C(=O)NC(C(C)(C)C)C(=O)N1c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-tert-butyl-1-(2,4-dichlorophenyl)-6-methylpiperazine-2,5-dione?
The InChIKey is GXBSBFTXXGDHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c1-8-13(20)18-12(15(2,3)4)14(21)19(8)11-6-5-9(16)7-10(11)17/h5-8,12H,1-4H3,(H,18,20).
What are the key properties of 3-tert-butyl-1-(2,4-dichlorophenyl)-6-methylpiperazine-2,5-dione?
3-tert-butyl-1-(2,4-dichlorophenyl)-6-methylpiperazine-2,5-dione has a molecular weight of 329.23 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2,4-dichlorophenyl)-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64961654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).