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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Related Compounds

3-tert-butyl-1-(2,4-difluorophenyl)-6-methylpiperazine-2,5-dione
CID 64957982
3-tert-butyl-1-(4-fluoro-2-iodophenyl)-6-methylpiperazine-2,5-dione
CID 79761004
3-tert-butyl-6-methyl-1-(2-methylphenyl)piperazine-2,5-dione
CID 64959323
3-tert-butyl-1-(3,5-dimethylphenyl)-6-methylpiperazine-2,5-dione
CID 64958920
3-tert-butyl-1-[(4-chlorophenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64902457
2-(2,4-dichlorophenyl)-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944613
1-(2,5-dichlorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 64961796
3-tert-butyl-1-(3-chlorophenyl)-6-ethylpiperazine-2,5-dione
CID 64961220
1-(2-chloro-4-fluorophenyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64961468
3-tert-butyl-6-methyl-1-(1-methylpyrazol-3-yl)piperazine-2,5-dione
CID 79785799
3-tert-butyl-6-methyl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione
CID 64960560
1-(2,5-dichlorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64961786

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).