1-(2,5-dichlorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione

C15H18Cl2N2O2 — CID 64961786

IUPAC1-(2,5-dichlorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)C(C)N(c2cc(Cl)ccc2Cl)C1=O
InChIInChI=1S/C15H18Cl2N2O2/c1-8(2)6-12-15(21)19(9(3)14(20)18-12)13-7-10(16)4-5-11(13)17/h4-5,7-9,12H,6H2,1-3H3,(H,18,20)
InChIKeyFIHGHISKJBTQMN-UHFFFAOYSA-N
MW329.23 g/mol
LogP3.26
Rot. Bonds3

About 1-(2,5-dichlorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione

1-(2,5-dichlorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 64961786) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID64961786
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name1-(2,5-dichlorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)C(C)N(c2cc(Cl)ccc2Cl)C1=O
InChIInChI=1S/C15H18Cl2N2O2/c1-8(2)6-12-15(21)19(9(3)14(20)18-12)13-7-10(16)4-5-11(13)17/h4-5,7-9,12H,6H2,1-3H3,(H,18,20)
InChIKeyFIHGHISKJBTQMN-UHFFFAOYSA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 1-(2,5-dichlorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-(2,5-dichlorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione (CID 64961786) is 1-(2,5-dichlorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-(2,5-dichlorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione is CC(C)CC1NC(=O)C(C)N(c2cc(Cl)ccc2Cl)C1=O.
What is the InChIKey of 1-(2,5-dichlorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is FIHGHISKJBTQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c1-8(2)6-12-15(21)19(9(3)14(20)18-12)13-7-10(16)4-5-11(13)17/h4-5,7-9,12H,6H2,1-3H3,(H,18,20).
What are the key properties of 1-(2,5-dichlorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
1-(2,5-dichlorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 329.23 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64961786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).