1-[2-(3-bromophenoxy)ethyl]-3,6,6-trimethylpiperazine-2,5-dione

C15H19BrN2O3 — CID 64874895

IUPAC1-[2-(3-bromophenoxy)ethyl]-3,6,6-trimethylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C)(C)N(CCOc2cccc(Br)c2)C1=O
InChIInChI=1S/C15H19BrN2O3/c1-10-13(19)18(15(2,3)14(20)17-10)7-8-21-12-6-4-5-11(16)9-12/h4-6,9-10H,7-8H2,1-3H3,(H,17,20)
InChIKeyAHYUGULNRIJLOV-UHFFFAOYSA-N
MW355.23 g/mol
LogP1.95
Rot. Bonds4

About 1-[2-(3-bromophenoxy)ethyl]-3,6,6-trimethylpiperazine-2,5-dione

1-[2-(3-bromophenoxy)ethyl]-3,6,6-trimethylpiperazine-2,5-dione (PubChem CID 64874895) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 1-[2-(3-bromophenoxy)ethyl]-3,6,6-trimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(3-bromophenoxy)ethyl]-3,6,6-trimethylpiperazine-2,5-dione
PubChem CID64874895
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name1-[2-(3-bromophenoxy)ethyl]-3,6,6-trimethylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C)(C)N(CCOc2cccc(Br)c2)C1=O
InChIInChI=1S/C15H19BrN2O3/c1-10-13(19)18(15(2,3)14(20)17-10)7-8-21-12-6-4-5-11(16)9-12/h4-6,9-10H,7-8H2,1-3H3,(H,17,20)
InChIKeyAHYUGULNRIJLOV-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-bromophenoxy)ethyl]-2,2,5-trimethylpiperazine
CID 64843936
1-[2-(3-bromophenoxy)ethyl]-5,5-dimethylazepan-2-one
CID 65284195
1-[2-(3-bromophenoxy)ethyl]pyrrole-2,5-dione
CID 82124588
(5R)-3-[2-(3-bromophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7171073
3,6,6-trimethyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperazine-2,5-dione
CID 82908048
1-[2-(3-bromophenoxy)ethyl]-6-methylpyridin-2-one
CID 54970700
2-[2-(3-bromophenoxy)ethyl]isoindole-1,3-dione;ethane
CID 91468658
(5S)-3-[2-(3-bromophenoxy)ethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7178203
1-[2-(3-bromophenoxy)ethyl]-3-cyclopropyl-3-methylpiperazine
CID 64832893
1-[2-(3-bromophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione
CID 7823968
4-(1-bromoethyl)-1-[2-(3-bromophenoxy)ethyl]piperidine
CID 106838322
1-[2-(3-bromophenoxy)ethyl]-5-methyl-2-propan-2-ylpiperazine
CID 64846879

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenoxy)ethyl]-3,6,6-trimethylpiperazine-2,5-dione?
The IUPAC name of 1-[2-(3-bromophenoxy)ethyl]-3,6,6-trimethylpiperazine-2,5-dione (CID 64874895) is 1-[2-(3-bromophenoxy)ethyl]-3,6,6-trimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-(3-bromophenoxy)ethyl]-3,6,6-trimethylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-(3-bromophenoxy)ethyl]-3,6,6-trimethylpiperazine-2,5-dione is CC1NC(=O)C(C)(C)N(CCOc2cccc(Br)c2)C1=O.
What is the InChIKey of 1-[2-(3-bromophenoxy)ethyl]-3,6,6-trimethylpiperazine-2,5-dione?
The InChIKey is AHYUGULNRIJLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-10-13(19)18(15(2,3)14(20)17-10)7-8-21-12-6-4-5-11(16)9-12/h4-6,9-10H,7-8H2,1-3H3,(H,17,20).
What are the key properties of 1-[2-(3-bromophenoxy)ethyl]-3,6,6-trimethylpiperazine-2,5-dione?
1-[2-(3-bromophenoxy)ethyl]-3,6,6-trimethylpiperazine-2,5-dione has a molecular weight of 355.23 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenoxy)ethyl]-3,6,6-trimethylpiperazine-2,5-dione is sourced from PubChem (CID 64874895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).