4-(2-bromopropanoyl)-3-ethylpiperazin-2-one

C9H15BrN2O2 — CID 107905248

IUPAC4-(2-bromopropanoyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)C(C)Br
InChIInChI=1S/C9H15BrN2O2/c1-3-7-8(13)11-4-5-12(7)9(14)6(2)10/h6-7H,3-5H2,1-2H3,(H,11,13)
InChIKeyXZSOGVUYTKLHRJ-UHFFFAOYSA-N
MW263.13 g/mol
LogP0.51
Rot. Bonds2

About 4-(2-bromopropanoyl)-3-ethylpiperazin-2-one

4-(2-bromopropanoyl)-3-ethylpiperazin-2-one (PubChem CID 107905248) has the molecular formula C9H15BrN2O2 and a molecular weight of 263.13 g/mol. Its IUPAC name is 4-(2-bromopropanoyl)-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-bromopropanoyl)-3-ethylpiperazin-2-one
PubChem CID107905248
Molecular FormulaC9H15BrN2O2
Molecular Weight263.13 g/mol
Exact Mass262.03
IUPAC Name4-(2-bromopropanoyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)C(C)Br
InChIInChI=1S/C9H15BrN2O2/c1-3-7-8(13)11-4-5-12(7)9(14)6(2)10/h6-7H,3-5H2,1-2H3,(H,11,13)
InChIKeyXZSOGVUYTKLHRJ-UHFFFAOYSA-N
XLogP0.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-4-(3-methyl-2-propan-2-ylbutanoyl)piperazin-2-one
CID 114282285
4-(2-aminopentanoyl)-3-ethylpiperazin-2-one
CID 63602807
3-amino-4-(2-ethyl-3-oxopiperazin-1-yl)-4-oxobutanoic acid
CID 64895581
3-ethyl-4-(3-methylpentanoyl)piperazin-2-one
CID 114875520
3-ethyl-4-(2-ethylhexanoyl)piperazin-2-one
CID 63600640
3-ethyl-4-[2-(propan-2-ylamino)acetyl]piperazin-2-one
CID 63602812
[1-(2-ethyl-3-oxopiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea
CID 63601168
4-(4-amino-3-methylbutanoyl)-3-ethylpiperazin-2-one
CID 81080644
4-[2-(butan-2-ylamino)acetyl]-3-ethylpiperazin-2-one
CID 63600887
2-ethyl-N-methyl-3-oxopiperazine-1-carbothioamide
CID 115617005
2-[(2-ethyl-3-oxopiperazine-1-carbonyl)-methylamino]acetic acid
CID 55217318
N-(2-chloropropanoyl)-2-ethyl-3-oxopiperazine-1-carboxamide
CID 55215582

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromopropanoyl)-3-ethylpiperazin-2-one?
The IUPAC name of 4-(2-bromopropanoyl)-3-ethylpiperazin-2-one (CID 107905248) is 4-(2-bromopropanoyl)-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-(2-bromopropanoyl)-3-ethylpiperazin-2-one?
The canonical SMILES for 4-(2-bromopropanoyl)-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1C(=O)C(C)Br.
What is the InChIKey of 4-(2-bromopropanoyl)-3-ethylpiperazin-2-one?
The InChIKey is XZSOGVUYTKLHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2O2/c1-3-7-8(13)11-4-5-12(7)9(14)6(2)10/h6-7H,3-5H2,1-2H3,(H,11,13).
What are the key properties of 4-(2-bromopropanoyl)-3-ethylpiperazin-2-one?
4-(2-bromopropanoyl)-3-ethylpiperazin-2-one has a molecular weight of 263.13 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromopropanoyl)-3-ethylpiperazin-2-one is sourced from PubChem (CID 107905248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).