2-[1-(4-bromophenyl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone

C15H22BrN3O — CID 60694356

IUPAC2-[1-(4-bromophenyl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCC(NCC(=O)N1CCN(C)CC1)c1ccc(Br)cc1
InChIInChI=1S/C15H22BrN3O/c1-12(13-3-5-14(16)6-4-13)17-11-15(20)19-9-7-18(2)8-10-19/h3-6,12,17H,7-11H2,1-2H3
InChIKeyBFZHMJXHOQOGIK-UHFFFAOYSA-N
MW340.27 g/mol
LogP1.87
Rot. Bonds4

About 2-[1-(4-bromophenyl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone

2-[1-(4-bromophenyl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 60694356) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID60694356
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name2-[1-(4-bromophenyl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCC(NCC(=O)N1CCN(C)CC1)c1ccc(Br)cc1
InChIInChI=1S/C15H22BrN3O/c1-12(13-3-5-14(16)6-4-13)17-11-15(20)19-9-7-18(2)8-10-19/h3-6,12,17H,7-11H2,1-2H3
InChIKeyBFZHMJXHOQOGIK-UHFFFAOYSA-N
XLogP1.87
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(4-bromophenyl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(4-bromophenyl)ethylamino]-1-piperidin-1-ylethanone
CID 60674178
2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81368251
3-(4-bromophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one
CID 110355527
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81372026
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81364899
1-(4-methylpiperazin-1-yl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanone
CID 81407978
2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81354994
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81400767
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide
CID 81359238
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone
CID 81347710
2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 884392
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81376901

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[1-(4-bromophenyl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone (CID 60694356) is 2-[1-(4-bromophenyl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[1-(4-bromophenyl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[1-(4-bromophenyl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone is CC(NCC(=O)N1CCN(C)CC1)c1ccc(Br)cc1.
What is the InChIKey of 2-[1-(4-bromophenyl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is BFZHMJXHOQOGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-12(13-3-5-14(16)6-4-13)17-11-15(20)19-9-7-18(2)8-10-19/h3-6,12,17H,7-11H2,1-2H3.
What are the key properties of 2-[1-(4-bromophenyl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone?
2-[1-(4-bromophenyl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 340.27 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 60694356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).