1-[(5-bromo-2-methoxyphenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione

C15H19BrN2O3 — CID 64875448

IUPAC1-[(5-bromo-2-methoxyphenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1Cc1cc(Br)ccc1OC
InChIInChI=1S/C15H19BrN2O3/c1-4-12-14(19)17-9(2)15(20)18(12)8-10-7-11(16)5-6-13(10)21-3/h5-7,9,12H,4,8H2,1-3H3,(H,17,19)
InChIKeyQHEVQRZVXPWFOR-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.08
Rot. Bonds4

About 1-[(5-bromo-2-methoxyphenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione

1-[(5-bromo-2-methoxyphenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione (PubChem CID 64875448) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 1-[(5-bromo-2-methoxyphenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(5-bromo-2-methoxyphenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione
PubChem CID64875448
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name1-[(5-bromo-2-methoxyphenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1Cc1cc(Br)ccc1OC
InChIInChI=1S/C15H19BrN2O3/c1-4-12-14(19)17-9(2)15(20)18(12)8-10-7-11(16)5-6-13(10)21-3/h5-7,9,12H,4,8H2,1-3H3,(H,17,19)
InChIKeyQHEVQRZVXPWFOR-UHFFFAOYSA-N
XLogP2.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromo-5-fluorophenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione
CID 79711880
1-[(5-bromo-2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 62874011
1-(5-bromo-2-methoxyphenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64966528
1-[(5-bromo-2-methoxyphenyl)methyl]-4-ethylpiperidine
CID 63456658
6-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64875276
1-(3,5-dimethoxyphenyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64956863
6-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine-2,5-dione
CID 64879658
ethyl 1-[(5-bromo-2-methoxyphenyl)methyl]pyrrole-2-carboxylate
CID 105422076
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione
CID 64875259
1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-2,6-dione
CID 54970604
1-[(4-bromophenyl)methyl]-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64885048
ethyl 4-[(5-bromo-2-methoxyphenyl)methyl]piperazine-1-carboxylate
CID 2846055

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione (CID 64875448) is 1-[(5-bromo-2-methoxyphenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(5-bromo-2-methoxyphenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[(5-bromo-2-methoxyphenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione is CCC1C(=O)NC(C)C(=O)N1Cc1cc(Br)ccc1OC.
What is the InChIKey of 1-[(5-bromo-2-methoxyphenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione?
The InChIKey is QHEVQRZVXPWFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-4-12-14(19)17-9(2)15(20)18(12)8-10-7-11(16)5-6-13(10)21-3/h5-7,9,12H,4,8H2,1-3H3,(H,17,19).
What are the key properties of 1-[(5-bromo-2-methoxyphenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione?
1-[(5-bromo-2-methoxyphenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione has a molecular weight of 355.23 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-methoxyphenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64875448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).