1-(4-bromo-2-chlorophenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione

C14H16BrClN2O2 — CID 64963273

IUPAC1-(4-bromo-2-chlorophenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1c1ccc(Br)cc1Cl
InChIInChI=1S/C14H16BrClN2O2/c1-4-10-12(19)17-14(2,3)13(20)18(10)11-6-5-8(15)7-9(11)16/h5-7,10H,4H2,1-3H3,(H,17,19)
InChIKeyOFVAKMBXYKQIPL-UHFFFAOYSA-N
MW359.65 g/mol
LogP3.12
Rot. Bonds2

About 1-(4-bromo-2-chlorophenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione

1-(4-bromo-2-chlorophenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione (PubChem CID 64963273) has the molecular formula C14H16BrClN2O2 and a molecular weight of 359.65 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
PubChem CID64963273
Molecular FormulaC14H16BrClN2O2
Molecular Weight359.65 g/mol
Exact Mass358.01
IUPAC Name1-(4-bromo-2-chlorophenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1c1ccc(Br)cc1Cl
InChIInChI=1S/C14H16BrClN2O2/c1-4-10-12(19)17-14(2,3)13(20)18(10)11-6-5-8(15)7-9(11)16/h5-7,10H,4H2,1-3H3,(H,17,19)
InChIKeyOFVAKMBXYKQIPL-UHFFFAOYSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.65
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione (CID 64963273) is 1-(4-bromo-2-chlorophenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione is CCC1C(=O)NC(C)(C)C(=O)N1c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is OFVAKMBXYKQIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O2/c1-4-10-12(19)17-14(2,3)13(20)18(10)11-6-5-8(15)7-9(11)16/h5-7,10H,4H2,1-3H3,(H,17,19).
What are the key properties of 1-(4-bromo-2-chlorophenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
1-(4-bromo-2-chlorophenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione has a molecular weight of 359.65 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64963273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).