1-(4-acetylpiperazin-1-yl)-2-(4-bromophenoxy)ethanone

C14H17BrN2O3 — CID 2403087

IUPAC1-(4-acetylpiperazin-1-yl)-2-(4-bromophenoxy)ethanone
SMILESCC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H17BrN2O3/c1-11(18)16-6-8-17(9-7-16)14(19)10-20-13-4-2-12(15)3-5-13/h2-5H,6-10H2,1H3
InChIKeyMWUJERIQCPAPLD-UHFFFAOYSA-N
MW341.20 g/mol
LogP1.52
Rot. Bonds3

About 1-(4-acetylpiperazin-1-yl)-2-(4-bromophenoxy)ethanone

1-(4-acetylpiperazin-1-yl)-2-(4-bromophenoxy)ethanone (PubChem CID 2403087) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.20 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-(4-bromophenoxy)ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-(4-bromophenoxy)ethanone
PubChem CID2403087
Molecular FormulaC14H17BrN2O3
Molecular Weight341.20 g/mol
Exact Mass340.04
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-(4-bromophenoxy)ethanone
SMILESCC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H17BrN2O3/c1-11(18)16-6-8-17(9-7-16)14(19)10-20-13-4-2-12(15)3-5-13/h2-5H,6-10H2,1H3
InChIKeyMWUJERIQCPAPLD-UHFFFAOYSA-N
XLogP1.52
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-(4-Bromophenoxy)ethyl)morpholine
CID 2053815
2-(4-bromophenoxy)-N-[2-(1-pyrrolidinyl)ethyl]acetamide
CID 23723164
2-(4-Bromophenoxy)-1-morpholin-4-ylethanone
CID 674921
1-(Morpholin-4-yl)-2-phenoxyethan-1-one
CID 575101
2-(Morpholin-4-yl)-2-oxoethyl (4-bromophenoxy)acetate
CID 1505704
1-[2-(4-Bromophenoxy)acetyl]imidazolidin-2-one
CID 5299798
2-(4-Bromophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 6467438
2-(4-bromophenoxy)-N,N-diethylethanamine
CID 423953
1,4-Bis(phenoxyacetyl)piperazine
CID 1008511
2-(Piperidin-1-YL)ethyl 2-(4-bromophenoxy)acetate hydrochloride
CID 23724247
Morpholine, 4-((4-methoxyphenoxy)acetyl)-
CID 809046
1-(Phenoxyacetyl)piperazine
CID 771959

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(4-bromophenoxy)ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(4-bromophenoxy)ethanone (CID 2403087) is 1-(4-acetylpiperazin-1-yl)-2-(4-bromophenoxy)ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-(4-bromophenoxy)ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-(4-bromophenoxy)ethanone is CC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-(4-bromophenoxy)ethanone?
The InChIKey is MWUJERIQCPAPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-11(18)16-6-8-17(9-7-16)14(19)10-20-13-4-2-12(15)3-5-13/h2-5H,6-10H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-(4-bromophenoxy)ethanone?
1-(4-acetylpiperazin-1-yl)-2-(4-bromophenoxy)ethanone has a molecular weight of 341.20 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-(4-bromophenoxy)ethanone is sourced from PubChem (CID 2403087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).