1-(2-bromophenyl)-3-propan-2-ylpiperazine-2,5-dione

C13H15BrN2O2 — CID 64962438

IUPAC1-(2-bromophenyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)CN(c2ccccc2Br)C1=O
InChIInChI=1S/C13H15BrN2O2/c1-8(2)12-13(18)16(7-11(17)15-12)10-6-4-3-5-9(10)14/h3-6,8,12H,7H2,1-2H3,(H,15,17)
InChIKeyWDVRDCRNNYAJBH-UHFFFAOYSA-N
MW311.18 g/mol
LogP1.94
Rot. Bonds2

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

1-(2-bromophenyl)-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64962438) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64962438
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name1-(2-bromophenyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)CN(c2ccccc2Br)C1=O
InChIInChI=1S/C13H15BrN2O2/c1-8(2)12-13(18)16(7-11(17)15-12)10-6-4-3-5-9(10)14/h3-6,8,12H,7H2,1-2H3,(H,15,17)
InChIKeyWDVRDCRNNYAJBH-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64959453
1-phenyl-3-propan-2-ylpiperazine-2,5-dione
CID 64958767
1-[(2-bromophenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64881106
1-(4-bromo-3-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64962128
1-(2,6-difluorophenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64959883
1-(5-chloro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64961548
1-(2,4-difluorophenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64957903
1-(2-chloro-4-iodophenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 107604202
1-(4-fluoro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64957960
1-(4-iodophenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64962699
1-(2,5-dibromophenyl)-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 64964250
3-butan-2-yl-1-(2-chlorophenyl)piperazine-2,5-dione
CID 64962602

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(2-bromophenyl)-3-propan-2-ylpiperazine-2,5-dione (CID 64962438) is 1-(2-bromophenyl)-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-bromophenyl)-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-bromophenyl)-3-propan-2-ylpiperazine-2,5-dione is CC(C)C1NC(=O)CN(c2ccccc2Br)C1=O.
What is the InChIKey of 1-(2-bromophenyl)-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is WDVRDCRNNYAJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-8(2)12-13(18)16(7-11(17)15-12)10-6-4-3-5-9(10)14/h3-6,8,12H,7H2,1-2H3,(H,15,17).
What are the key properties of 1-(2-bromophenyl)-3-propan-2-ylpiperazine-2,5-dione?
1-(2-bromophenyl)-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 311.18 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64962438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).