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

C17H23BrN2O2 — CID 1357308

IUPAC2-(4-bromophenoxy)-1-(4-cyclopentylpiperazin-1-yl)ethanone
SMILESO=C(COc1ccc(Br)cc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H23BrN2O2/c18-14-5-7-16(8-6-14)22-13-17(21)20-11-9-19(10-12-20)15-3-1-2-4-15/h5-8,15H,1-4,9-13H2
InChIKeyBCHOWFWXCXJAQC-UHFFFAOYSA-N
MW367.29 g/mol
LogP2.91
Rot. Bonds4

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

2-(4-bromophenoxy)-1-(4-cyclopentylpiperazin-1-yl)ethanone (PubChem CID 1357308) has the molecular formula C17H23BrN2O2 and a molecular weight of 367.29 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-1-(4-cyclopentylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenoxy)-1-(4-cyclopentylpiperazin-1-yl)ethanone
PubChem CID1357308
Molecular FormulaC17H23BrN2O2
Molecular Weight367.29 g/mol
Exact Mass366.09
IUPAC Name2-(4-bromophenoxy)-1-(4-cyclopentylpiperazin-1-yl)ethanone
SMILESO=C(COc1ccc(Br)cc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H23BrN2O2/c18-14-5-7-16(8-6-14)22-13-17(21)20-11-9-19(10-12-20)15-3-1-2-4-15/h5-8,15H,1-4,9-13H2
InChIKeyBCHOWFWXCXJAQC-UHFFFAOYSA-N
XLogP2.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-N-[2-(1-pyrrolidinyl)ethyl]acetamide
CID 23723164
2-(4-Bromophenoxy)-1-morpholin-4-ylethanone
CID 674921
2-(Morpholin-4-yl)-2-oxoethyl (4-bromophenoxy)acetate
CID 1505704
2-(4-bromo-2-fluorophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
CID 2106768
[2-(Cyclopentylamino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 2376778
2-(4-Bromophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 6467438
2-(Piperidin-1-YL)ethyl 2-(4-bromophenoxy)acetate hydrochloride
CID 23724247
1-[2-(4-Bromophenoxy)ethyl]piperidine
CID 867195
1-(4-Cyclopentyl-piperazin-1-yl)-2-phenoxy-ethanone
CID 645114
2-(2-bromophenoxy)-N-cyclopentylacetamide
CID 729424
1-(4-Acetylpiperazin-1-yl)-2-(4-bromophenoxy)ethanone
CID 2403087
N-cyclopentyl-2-(2,4-dibromophenoxy)acetamide
CID 2632827

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-1-(4-cyclopentylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-bromophenoxy)-1-(4-cyclopentylpiperazin-1-yl)ethanone (CID 1357308) is 2-(4-bromophenoxy)-1-(4-cyclopentylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-bromophenoxy)-1-(4-cyclopentylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-bromophenoxy)-1-(4-cyclopentylpiperazin-1-yl)ethanone is O=C(COc1ccc(Br)cc1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 2-(4-bromophenoxy)-1-(4-cyclopentylpiperazin-1-yl)ethanone?
The InChIKey is BCHOWFWXCXJAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O2/c18-14-5-7-16(8-6-14)22-13-17(21)20-11-9-19(10-12-20)15-3-1-2-4-15/h5-8,15H,1-4,9-13H2.
What are the key properties of 2-(4-bromophenoxy)-1-(4-cyclopentylpiperazin-1-yl)ethanone?
2-(4-bromophenoxy)-1-(4-cyclopentylpiperazin-1-yl)ethanone has a molecular weight of 367.29 g/mol, XLogP of 2.91, 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-cyclopentylpiperazin-1-yl)ethanone is sourced from PubChem (CID 1357308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).