1-(3,4-dichlorophenyl)-3-propan-2-ylpiperazine-2,5-dione

C13H14Cl2N2O2 — CID 64961924

IUPAC1-(3,4-dichlorophenyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)CN(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C13H14Cl2N2O2/c1-7(2)12-13(19)17(6-11(18)16-12)8-3-4-9(14)10(15)5-8/h3-5,7,12H,6H2,1-2H3,(H,16,18)
InChIKeyLVGQZDNTKDXBLB-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.48
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-3-propan-2-ylpiperazine-2,5-dione

1-(3,4-dichlorophenyl)-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64961924) has the molecular formula C13H14Cl2N2O2 and a molecular weight of 301.17 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64961924
Molecular FormulaC13H14Cl2N2O2
Molecular Weight301.17 g/mol
Exact Mass300.04
IUPAC Name1-(3,4-dichlorophenyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)CN(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C13H14Cl2N2O2/c1-7(2)12-13(19)17(6-11(18)16-12)8-3-4-9(14)10(15)5-8/h3-5,7,12H,6H2,1-2H3,(H,16,18)
InChIKeyLVGQZDNTKDXBLB-UHFFFAOYSA-N
XLogP2.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64962128
1-(2,3-dihydro-1H-inden-5-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64956720
1-(4-iodophenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64962699
1-phenyl-3-propan-2-ylpiperazine-2,5-dione
CID 64958767
1-(2-chloro-4-iodophenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 107604202
1-(5-chloro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64961548
1-(2-chloro-6-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 66255310
1-(3-bromo-5-methoxyphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 82860351
1-(2,6-difluorophenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64959883
1-(3-chloro-4-fluorophenyl)-3-methylpiperazine-2,5-dione
CID 64962916
1-(2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64959453
1-(2,4-difluorophenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64957903

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-propan-2-ylpiperazine-2,5-dione (CID 64961924) is 1-(3,4-dichlorophenyl)-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-propan-2-ylpiperazine-2,5-dione is CC(C)C1NC(=O)CN(c2ccc(Cl)c(Cl)c2)C1=O.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is LVGQZDNTKDXBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2/c1-7(2)12-13(19)17(6-11(18)16-12)8-3-4-9(14)10(15)5-8/h3-5,7,12H,6H2,1-2H3,(H,16,18).
What are the key properties of 1-(3,4-dichlorophenyl)-3-propan-2-ylpiperazine-2,5-dione?
1-(3,4-dichlorophenyl)-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 301.17 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64961924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).