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

C14H17BrN2O2 — CID 64962128

IUPAC1-(4-bromo-3-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCc1cc(N2CC(=O)NC(C(C)C)C2=O)ccc1Br
InChIInChI=1S/C14H17BrN2O2/c1-8(2)13-14(19)17(7-12(18)16-13)10-4-5-11(15)9(3)6-10/h4-6,8,13H,7H2,1-3H3,(H,16,18)
InChIKeyBMPXHUMCVRBNRF-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.24
Rot. Bonds2

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

1-(4-bromo-3-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64962128) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64962128
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name1-(4-bromo-3-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCc1cc(N2CC(=O)NC(C(C)C)C2=O)ccc1Br
InChIInChI=1S/C14H17BrN2O2/c1-8(2)13-14(19)17(7-12(18)16-13)10-4-5-11(15)9(3)6-10/h4-6,8,13H,7H2,1-3H3,(H,16,18)
InChIKeyBMPXHUMCVRBNRF-UHFFFAOYSA-N
XLogP2.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-methylphenyl)-3-propylpiperazine-2,5-dione
CID 64962234
1-(3,4-dichlorophenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64961924
1-(3-bromo-4-methylphenyl)-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 64970829
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-(3-bromo-5-methoxyphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 82860351
1-(2-bromophenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64962438
1-(4-bromo-3,5-dimethylphenyl)-3-butan-2-ylpiperazine-2,5-dione
CID 107580171
1-(2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64959453
1-(5-chloro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64961548
1-(4-fluoro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64957960

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione (CID 64962128) is 1-(4-bromo-3-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione is Cc1cc(N2CC(=O)NC(C(C)C)C2=O)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is BMPXHUMCVRBNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-8(2)13-14(19)17(7-12(18)16-13)10-4-5-11(15)9(3)6-10/h4-6,8,13H,7H2,1-3H3,(H,16,18).
What are the key properties of 1-(4-bromo-3-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione?
1-(4-bromo-3-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 325.21 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64962128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).