1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpiperazine-2,5-dione

C12H12BrClN2O2 — CID 113471380

IUPAC1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(Cc2ccc(Br)cc2Cl)CC1=O
InChIInChI=1S/C12H12BrClN2O2/c1-15-6-12(18)16(7-11(15)17)5-8-2-3-9(13)4-10(8)14/h2-4H,5-7H2,1H3
InChIKeyQNSUGQANLWUREW-UHFFFAOYSA-N
MW331.60 g/mol
LogP1.90
Rot. Bonds2

About 1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpiperazine-2,5-dione

1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpiperazine-2,5-dione (PubChem CID 113471380) has the molecular formula C12H12BrClN2O2 and a molecular weight of 331.60 g/mol. Its IUPAC name is 1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpiperazine-2,5-dione
PubChem CID113471380
Molecular FormulaC12H12BrClN2O2
Molecular Weight331.60 g/mol
Exact Mass329.98
IUPAC Name1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(Cc2ccc(Br)cc2Cl)CC1=O
InChIInChI=1S/C12H12BrClN2O2/c1-15-6-12(18)16(7-11(15)17)5-8-2-3-9(13)4-10(8)14/h2-4H,5-7H2,1H3
InChIKeyQNSUGQANLWUREW-UHFFFAOYSA-N
XLogP1.90
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.60
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-amino-2-bromophenyl)methyl]-4-methylpiperazine-2,5-dione
CID 79937354
1-[(4-bromo-2-chlorophenyl)methyl]-1,4-diazepan-2-one
CID 113471437
1-[(4-amino-2-chlorophenyl)methyl]-4-propylpiperazine-2,5-dione
CID 79936117
1-[(2-amino-4-bromophenyl)methyl]-4-propylpiperazine-2,5-dione
CID 114380631
1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylpiperazine-2,5-dione
CID 79936119
1-[(4-aminophenyl)methyl]-4-methylpiperazine-2,5-dione
CID 79936216
1-[(4-bromo-2-chlorophenyl)methyl]-4-ethylpiperazine
CID 91800436
1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpyridin-2-one
CID 115614073
4-chloro-1-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-2-one
CID 168688256
1-[(4-bromo-3-nitrophenyl)methyl]-4-methylpiperazine-2,5-dione
CID 115557925
5-methyl-4-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 79936676
2-[2-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]phenyl]acetohydrazide
CID 115465647

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpiperazine-2,5-dione?
The IUPAC name of 1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpiperazine-2,5-dione (CID 113471380) is 1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpiperazine-2,5-dione is CN1CC(=O)N(Cc2ccc(Br)cc2Cl)CC1=O.
What is the InChIKey of 1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpiperazine-2,5-dione?
The InChIKey is QNSUGQANLWUREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O2/c1-15-6-12(18)16(7-11(15)17)5-8-2-3-9(13)4-10(8)14/h2-4H,5-7H2,1H3.
What are the key properties of 1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpiperazine-2,5-dione?
1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpiperazine-2,5-dione has a molecular weight of 331.60 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpiperazine-2,5-dione is sourced from PubChem (CID 113471380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).