4-(2-bromo-5-methoxybenzoyl)-3-ethylpiperazin-2-one

C14H17BrN2O3 — CID 63601017

IUPAC4-(2-bromo-5-methoxybenzoyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1cc(OC)ccc1Br
InChIInChI=1S/C14H17BrN2O3/c1-3-12-13(18)16-6-7-17(12)14(19)10-8-9(20-2)4-5-11(10)15/h4-5,8,12H,3,6-7H2,1-2H3,(H,16,18)
InChIKeyOPHYEXJWRCZXCW-UHFFFAOYSA-N
MW341.21 g/mol
LogP1.81
Rot. Bonds3

About 4-(2-bromo-5-methoxybenzoyl)-3-ethylpiperazin-2-one

4-(2-bromo-5-methoxybenzoyl)-3-ethylpiperazin-2-one (PubChem CID 63601017) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 4-(2-bromo-5-methoxybenzoyl)-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-bromo-5-methoxybenzoyl)-3-ethylpiperazin-2-one
PubChem CID63601017
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name4-(2-bromo-5-methoxybenzoyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1cc(OC)ccc1Br
InChIInChI=1S/C14H17BrN2O3/c1-3-12-13(18)16-6-7-17(12)14(19)10-8-9(20-2)4-5-11(10)15/h4-5,8,12H,3,6-7H2,1-2H3,(H,16,18)
InChIKeyOPHYEXJWRCZXCW-UHFFFAOYSA-N
XLogP1.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-ethyl-4-[5-methoxy-2-(4-methoxyphenyl)benzoyl]piperazin-2-one
CID 92613425
4-(5-amino-2-bromobenzoyl)-3-ethylpiperazin-2-one
CID 55215755
4-(2,4-dibromobenzoyl)-3-ethylpiperazin-2-one
CID 103882803
3-ethyl-4-[4-(2-fluoro-4-methoxyphenyl)naphthalene-1-carbonyl]piperazin-2-one
CID 172655604
4-(4-bromo-2-chlorobenzoyl)-3-ethylpiperazin-2-one
CID 63600677
(3R)-4-[3-(2,5-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carbonyl]-3-ethylpiperazin-2-one
CID 92627950
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
4-(2-chloro-5-sulfanylbenzoyl)-3-ethylpiperazin-2-one
CID 107029813
4-(2,5-dimethylthiophene-3-carbonyl)-3-ethylpiperazin-2-one
CID 63601701
4-(5-bromo-2-chloropyridine-3-carbonyl)-3-ethylpiperazin-2-one
CID 63601394
3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one
CID 63604913
2-[4-(2-ethyl-3-oxopiperazine-1-carbonyl)phenoxy]acetic acid
CID 136552744

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-5-methoxybenzoyl)-3-ethylpiperazin-2-one?
The IUPAC name of 4-(2-bromo-5-methoxybenzoyl)-3-ethylpiperazin-2-one (CID 63601017) is 4-(2-bromo-5-methoxybenzoyl)-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-(2-bromo-5-methoxybenzoyl)-3-ethylpiperazin-2-one?
The canonical SMILES for 4-(2-bromo-5-methoxybenzoyl)-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1C(=O)c1cc(OC)ccc1Br.
What is the InChIKey of 4-(2-bromo-5-methoxybenzoyl)-3-ethylpiperazin-2-one?
The InChIKey is OPHYEXJWRCZXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-3-12-13(18)16-6-7-17(12)14(19)10-8-9(20-2)4-5-11(10)15/h4-5,8,12H,3,6-7H2,1-2H3,(H,16,18).
What are the key properties of 4-(2-bromo-5-methoxybenzoyl)-3-ethylpiperazin-2-one?
4-(2-bromo-5-methoxybenzoyl)-3-ethylpiperazin-2-one has a molecular weight of 341.21 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-5-methoxybenzoyl)-3-ethylpiperazin-2-one is sourced from PubChem (CID 63601017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).