4-[2-(4-bromophenoxy)ethyl]-3-ethylpiperazin-2-one

C14H19BrN2O2 — CID 63601043

IUPAC4-[2-(4-bromophenoxy)ethyl]-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1CCOc1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O2/c1-2-13-14(18)16-7-8-17(13)9-10-19-12-5-3-11(15)4-6-12/h3-6,13H,2,7-10H2,1H3,(H,16,18)
InChIKeyDXRKMDFLBAYXNU-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.04
Rot. Bonds5

About 4-[2-(4-bromophenoxy)ethyl]-3-ethylpiperazin-2-one

4-[2-(4-bromophenoxy)ethyl]-3-ethylpiperazin-2-one (PubChem CID 63601043) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 4-[2-(4-bromophenoxy)ethyl]-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-bromophenoxy)ethyl]-3-ethylpiperazin-2-one
PubChem CID63601043
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name4-[2-(4-bromophenoxy)ethyl]-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1CCOc1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O2/c1-2-13-14(18)16-7-8-17(13)9-10-19-12-5-3-11(15)4-6-12/h3-6,13H,2,7-10H2,1H3,(H,16,18)
InChIKeyDXRKMDFLBAYXNU-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[1-[2-(4-fluorophenoxy)ethyl]-3-oxopiperazin-2-yl]acetate
CID 47010477
4-[2-(4-bromophenoxy)ethyl]-1,4-diazepan-2-one
CID 62898000
3-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-2-one
CID 63602736
1-[2-(4-bromophenoxy)ethyl]-2-ethyl-5,5-dimethylpiperazine
CID 64840072
3-ethyl-4-(2-hydroxy-3-phenoxypropyl)piperazin-2-one
CID 111436423
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperidine
CID 63456489
4-[2-(4-bromophenoxy)ethyl]-1-methylpiperazin-2-one
CID 64694771
2-[4-(2-ethyl-3-oxopiperazine-1-carbonyl)phenoxy]acetic acid
CID 136552744
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine
CID 60644690
(3S)-1-[2-(4-bromophenoxy)ethyl]-3-methylpiperazine
CID 104977117
4-[2-(4-ethoxyphenoxy)ethyl]piperazin-2-one
CID 8962129
1-[2-(4-bromophenoxy)ethyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64840961

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromophenoxy)ethyl]-3-ethylpiperazin-2-one?
The IUPAC name of 4-[2-(4-bromophenoxy)ethyl]-3-ethylpiperazin-2-one (CID 63601043) is 4-[2-(4-bromophenoxy)ethyl]-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-[2-(4-bromophenoxy)ethyl]-3-ethylpiperazin-2-one?
The canonical SMILES for 4-[2-(4-bromophenoxy)ethyl]-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1CCOc1ccc(Br)cc1.
What is the InChIKey of 4-[2-(4-bromophenoxy)ethyl]-3-ethylpiperazin-2-one?
The InChIKey is DXRKMDFLBAYXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-2-13-14(18)16-7-8-17(13)9-10-19-12-5-3-11(15)4-6-12/h3-6,13H,2,7-10H2,1H3,(H,16,18).
What are the key properties of 4-[2-(4-bromophenoxy)ethyl]-3-ethylpiperazin-2-one?
4-[2-(4-bromophenoxy)ethyl]-3-ethylpiperazin-2-one has a molecular weight of 327.22 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromophenoxy)ethyl]-3-ethylpiperazin-2-one is sourced from PubChem (CID 63601043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).