[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 2-(4-bromophenoxy)acetate

C17H22BrNO4 — CID 4144120

IUPAC[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 2-(4-bromophenoxy)acetate
SMILESCCC1CCCCN1C(=O)COC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C17H22BrNO4/c1-2-14-5-3-4-10-19(14)16(20)11-23-17(21)12-22-15-8-6-13(18)7-9-15/h6-9,14H,2-5,10-12H2,1H3
InChIKeyJPIOLIDXGUGIEI-UHFFFAOYSA-N
MW384.27 g/mol
LogP3.16
Rot. Bonds6

About [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 2-(4-bromophenoxy)acetate

[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 2-(4-bromophenoxy)acetate (PubChem CID 4144120) has the molecular formula C17H22BrNO4 and a molecular weight of 384.27 g/mol. Its IUPAC name is [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 2-(4-bromophenoxy)acetate.

Molecular Properties

Compound Name[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 2-(4-bromophenoxy)acetate
PubChem CID4144120
Molecular FormulaC17H22BrNO4
Molecular Weight384.27 g/mol
Exact Mass383.07
IUPAC Name[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 2-(4-bromophenoxy)acetate
SMILESCCC1CCCCN1C(=O)COC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C17H22BrNO4/c1-2-14-5-3-4-10-19(14)16(20)11-23-17(21)12-22-15-8-6-13(18)7-9-15/h6-9,14H,2-5,10-12H2,1H3
InChIKeyJPIOLIDXGUGIEI-UHFFFAOYSA-N
XLogP3.16
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Bromophenoxy)-1-morpholin-4-ylethanone
CID 674921
2-(Morpholin-4-yl)-2-oxoethyl (4-bromophenoxy)acetate
CID 1505704
[2-(Cyclopentylamino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 2376778
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 4093242
4-[5-(4-Bromophenoxy)pentyl]morpholine;oxalic acid
CID 16187884
4-[5-(2-Bromophenoxy)pentyl]morpholine
CID 16188843
2-(Piperidin-1-YL)ethyl 2-(4-bromophenoxy)acetate hydrochloride
CID 23724247
5-[(4-Bromophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one
CID 2725802
2-(4-Bromophenoxy)-1-(4-cyclopentylpiperazin-1-yl)ethanone
CID 1357308
1-(4-Acetylpiperazin-1-yl)-2-(4-bromophenoxy)ethanone
CID 2403087
1-[4-(4-Bromophenoxy)butyl]-4-methylpiperazine oxalate
CID 2884952
1-{4-[3-(4-Bromo-phenoxy)-2-hydroxy-propyl]-piperazin-1-yl}-ethanone
CID 2899203

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 2-(4-bromophenoxy)acetate?
The IUPAC name of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 2-(4-bromophenoxy)acetate (CID 4144120) is [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 2-(4-bromophenoxy)acetate.
What is the SMILES notation for [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 2-(4-bromophenoxy)acetate?
The canonical SMILES for [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 2-(4-bromophenoxy)acetate is CCC1CCCCN1C(=O)COC(=O)COc1ccc(Br)cc1.
What is the InChIKey of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 2-(4-bromophenoxy)acetate?
The InChIKey is JPIOLIDXGUGIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO4/c1-2-14-5-3-4-10-19(14)16(20)11-23-17(21)12-22-15-8-6-13(18)7-9-15/h6-9,14H,2-5,10-12H2,1H3.
What are the key properties of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 2-(4-bromophenoxy)acetate?
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 2-(4-bromophenoxy)acetate has a molecular weight of 384.27 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 2-(4-bromophenoxy)acetate is sourced from PubChem (CID 4144120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).