2-[4-(4-bromo-3-methoxyphenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone

C19H29BrN4O2 — CID 57442580

IUPAC2-[4-(4-bromo-3-methoxyphenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)CN2CCN(c3ccc(Br)c(OC)c3)CC2)CC1
InChIInChI=1S/C19H29BrN4O2/c1-3-21-6-12-24(13-7-21)19(25)15-22-8-10-23(11-9-22)16-4-5-17(20)18(14-16)26-2/h4-5,14H,3,6-13,15H2,1-2H3
InChIKeyDDZAKJCXXKDARS-UHFFFAOYSA-N
MW425.37 g/mol
LogP1.74
Rot. Bonds5

About 2-[4-(4-bromo-3-methoxyphenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone

2-[4-(4-bromo-3-methoxyphenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone (PubChem CID 57442580) has the molecular formula C19H29BrN4O2 and a molecular weight of 425.37 g/mol. Its IUPAC name is 2-[4-(4-bromo-3-methoxyphenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-bromo-3-methoxyphenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone
PubChem CID57442580
Molecular FormulaC19H29BrN4O2
Molecular Weight425.37 g/mol
Exact Mass424.15
IUPAC Name2-[4-(4-bromo-3-methoxyphenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)CN2CCN(c3ccc(Br)c(OC)c3)CC2)CC1
InChIInChI=1S/C19H29BrN4O2/c1-3-21-6-12-24(13-7-21)19(25)15-22-8-10-23(11-9-22)16-4-5-17(20)18(14-16)26-2/h4-5,14H,3,6-13,15H2,1-2H3
InChIKeyDDZAKJCXXKDARS-UHFFFAOYSA-N
XLogP1.74
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.37
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone;ethane
CID 143404168
1-(4-ethylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 57442902
1-[4-(4-bromo-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;ethane
CID 142843343
1-(3-bromo-4-methoxyphenyl)-4-(4-bromo-3-methoxyphenyl)piperazine
CID 69476818
2-(3-bromo-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 110767784
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995439
2-chloro-1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]ethanone
CID 4740944
2-[4-(4-bromophenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone
CID 143404087
3-(4-ethylpiperazin-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109017688
1-(4-bromo-3-methoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 10293563
1-(4-bromo-3-methoxyphenyl)-4-[1-(3,4-dimethoxyphenyl)prop-1-en-2-yl]piperazine
CID 69223946
4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]piperazine-1-carbaldehyde
CID 108995948

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromo-3-methoxyphenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(4-bromo-3-methoxyphenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone (CID 57442580) is 2-[4-(4-bromo-3-methoxyphenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(4-bromo-3-methoxyphenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(4-bromo-3-methoxyphenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone is CCN1CCN(C(=O)CN2CCN(c3ccc(Br)c(OC)c3)CC2)CC1.
What is the InChIKey of 2-[4-(4-bromo-3-methoxyphenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone?
The InChIKey is DDZAKJCXXKDARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29BrN4O2/c1-3-21-6-12-24(13-7-21)19(25)15-22-8-10-23(11-9-22)16-4-5-17(20)18(14-16)26-2/h4-5,14H,3,6-13,15H2,1-2H3.
What are the key properties of 2-[4-(4-bromo-3-methoxyphenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone?
2-[4-(4-bromo-3-methoxyphenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone has a molecular weight of 425.37 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromo-3-methoxyphenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 57442580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).