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

C18H19BrN2O2 — CID 1363799

IUPAC2-(4-bromophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(COc1ccc(Br)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H19BrN2O2/c19-15-6-8-17(9-7-15)23-14-18(22)21-12-10-20(11-13-21)16-4-2-1-3-5-16/h1-9H,10-14H2
InChIKeyJEBIATXQNDRWRA-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.18
Rot. Bonds4

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

2-(4-bromophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 1363799) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID1363799
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name2-(4-bromophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(COc1ccc(Br)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H19BrN2O2/c19-15-6-8-17(9-7-15)23-14-18(22)21-12-10-20(11-13-21)16-4-2-1-3-5-16/h1-9H,10-14H2
InChIKeyJEBIATXQNDRWRA-UHFFFAOYSA-N
XLogP3.18
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3160214
4-[2-(4-Bromophenoxy)acetyl]-1,2,3,4-tetrahydroquinoxalin-2-one
CID 2787080
Piperazine, 1-(2-phenoxyethyl)-4-phenyl-
CID 95766
N-(4-bromophenyl)-2-phenoxyacetamide
CID 302755
N-(4-(2-(4-(4-fluorophenyl)piperazin-1-yl)-2-oxoethoxy)phenyl)acetamide (1d)
CID 91937736
1-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 798794
2-(4-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 979201
N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide
CID 1017652
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide
CID 1253482
2-phenoxy-N-(4-piperidylphenyl)acetamide
CID 1362654
2-(2-Bromo-4-methylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 1370228
4-Phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 2290599

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-bromophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone (CID 1363799) is 2-(4-bromophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-bromophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-bromophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone is O=C(COc1ccc(Br)cc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(4-bromophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is JEBIATXQNDRWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c19-15-6-8-17(9-7-15)23-14-18(22)21-12-10-20(11-13-21)16-4-2-1-3-5-16/h1-9H,10-14H2.
What are the key properties of 2-(4-bromophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone?
2-(4-bromophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 375.27 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 1363799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).