1-(3-bromophenyl)-6-propan-2-ylpiperazine-2,5-dione

C13H15BrN2O2 — CID 64961530

IUPAC1-(3-bromophenyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NCC(=O)N1c1cccc(Br)c1
InChIInChI=1S/C13H15BrN2O2/c1-8(2)12-13(18)15-7-11(17)16(12)10-5-3-4-9(14)6-10/h3-6,8,12H,7H2,1-2H3,(H,15,18)
InChIKeyIGRZWDOXTMGJSX-UHFFFAOYSA-N
MW311.18 g/mol
LogP1.94
Rot. Bonds2

About 1-(3-bromophenyl)-6-propan-2-ylpiperazine-2,5-dione

1-(3-bromophenyl)-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64961530) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 1-(3-bromophenyl)-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-bromophenyl)-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64961530
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name1-(3-bromophenyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NCC(=O)N1c1cccc(Br)c1
InChIInChI=1S/C13H15BrN2O2/c1-8(2)12-13(18)15-7-11(17)16(12)10-5-3-4-9(14)6-10/h3-6,8,12H,7H2,1-2H3,(H,15,18)
InChIKeyIGRZWDOXTMGJSX-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-phenyl-6-propan-2-ylpiperazine-2,5-dione
CID 64958790
1-(4-bromo-2-fluorophenyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64962250
1-(4-bromo-2,5-difluorophenyl)-6-propan-2-ylpiperazine-2,5-dione
CID 107608195
1-(4-chloro-3-methoxyphenyl)-6-propan-2-ylpiperazine-2,5-dione
CID 107623442
1-(3-bromophenyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64961542
1-[(4-bromo-2-fluorophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64879480
1-[1-(4-bromophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64965368
1-[(2-bromophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64880254
1-[(4-bromophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64879671
1-[1-(3-fluorophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64965974
1-[(3-fluorophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64880250
1-[(3-bromophenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64879076

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(3-bromophenyl)-6-propan-2-ylpiperazine-2,5-dione (CID 64961530) is 1-(3-bromophenyl)-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-bromophenyl)-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-bromophenyl)-6-propan-2-ylpiperazine-2,5-dione is CC(C)C1C(=O)NCC(=O)N1c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is IGRZWDOXTMGJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-8(2)12-13(18)15-7-11(17)16(12)10-5-3-4-9(14)6-10/h3-6,8,12H,7H2,1-2H3,(H,15,18).
What are the key properties of 1-(3-bromophenyl)-6-propan-2-ylpiperazine-2,5-dione?
1-(3-bromophenyl)-6-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-(3-bromophenyl)-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64961530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).