1-[(2-bromophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione

C14H17BrN2O2 — CID 64880254

IUPAC1-[(2-bromophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NCC(=O)N1Cc1ccccc1Br
InChIInChI=1S/C14H17BrN2O2/c1-9(2)13-14(19)16-7-12(18)17(13)8-10-5-3-4-6-11(10)15/h3-6,9,13H,7-8H2,1-2H3,(H,16,19)
InChIKeyBSWZLBRIEZQXHS-UHFFFAOYSA-N
MW325.21 g/mol
LogP1.93
Rot. Bonds3

About 1-[(2-bromophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione

1-[(2-bromophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64880254) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64880254
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name1-[(2-bromophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NCC(=O)N1Cc1ccccc1Br
InChIInChI=1S/C14H17BrN2O2/c1-9(2)13-14(19)16-7-12(18)17(13)8-10-5-3-4-6-11(10)15/h3-6,9,13H,7-8H2,1-2H3,(H,16,19)
InChIKeyBSWZLBRIEZQXHS-UHFFFAOYSA-N
XLogP1.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64879671
1-[(4-bromo-2-fluorophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64879480
6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64880056
1-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64957110
1-[(4-ethylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64880063
1-[(5-fluoro-2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 105375794
1-[(3-fluorophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64880250
1-phenyl-6-propan-2-ylpiperazine-2,5-dione
CID 64958790
1-[(2-methylphenyl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione
CID 64879688
1-[(2-bromophenyl)methyl]-6-butan-2-yl-3-methylpiperazine-2,5-dione
CID 64872913
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 106377238
1-(7-methyloctyl)-6-propan-2-ylpiperazine-2,5-dione
CID 107818498

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-[(2-bromophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione (CID 64880254) is 1-[(2-bromophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione is CC(C)C1C(=O)NCC(=O)N1Cc1ccccc1Br.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is BSWZLBRIEZQXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-9(2)13-14(19)16-7-12(18)17(13)8-10-5-3-4-6-11(10)15/h3-6,9,13H,7-8H2,1-2H3,(H,16,19).
What are the key properties of 1-[(2-bromophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
1-[(2-bromophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 325.21 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64880254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).