2-[4-(4-bromophenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone

C20H31BrN4O — CID 143404087

IUPAC2-[4-(4-bromophenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone
SMILESCCC(C)N1CCN(C(=O)CN2CCN(c3ccc(Br)cc3)CC2)CC1
InChIInChI=1S/C20H31BrN4O/c1-3-17(2)23-12-14-25(15-13-23)20(26)16-22-8-10-24(11-9-22)19-6-4-18(21)5-7-19/h4-7,17H,3,8-16H2,1-2H3
InChIKeyILHGKLRTMJPPMA-UHFFFAOYSA-N
MW423.40 g/mol
LogP2.51
Rot. Bonds5

About 2-[4-(4-bromophenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone

2-[4-(4-bromophenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone (PubChem CID 143404087) has the molecular formula C20H31BrN4O and a molecular weight of 423.40 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone
PubChem CID143404087
Molecular FormulaC20H31BrN4O
Molecular Weight423.40 g/mol
Exact Mass422.17
IUPAC Name2-[4-(4-bromophenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone
SMILESCCC(C)N1CCN(C(=O)CN2CCN(c3ccc(Br)cc3)CC2)CC1
InChIInChI=1S/C20H31BrN4O/c1-3-17(2)23-12-14-25(15-13-23)20(26)16-22-8-10-24(11-9-22)19-6-4-18(21)5-7-19/h4-7,17H,3,8-16H2,1-2H3
InChIKeyILHGKLRTMJPPMA-UHFFFAOYSA-N
XLogP2.51
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-bromophenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone
CID 57442577
1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone
CID 57442936
1-(4-butan-2-ylpiperazin-1-yl)-2-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 57442914
1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethanone
CID 57442920
4-(4-butan-2-ylpiperazin-1-yl)phenol;dihydrobromide
CID 20519340
1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 122195196
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(1R)-1-phenylethyl]piperazin-1-yl]ethanone
CID 25336879
3-[4-(4-butan-2-ylpiperazin-1-yl)phenyl]prop-2-enoic acid
CID 76948954
1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone
CID 57443139
2-[4-(4-bromo-3-methoxyphenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 57442580
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995416
1-(4-ethylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 57442902

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(4-bromophenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone (CID 143404087) is 2-[4-(4-bromophenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(4-bromophenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(4-bromophenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone is CCC(C)N1CCN(C(=O)CN2CCN(c3ccc(Br)cc3)CC2)CC1.
What is the InChIKey of 2-[4-(4-bromophenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is ILHGKLRTMJPPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31BrN4O/c1-3-17(2)23-12-14-25(15-13-23)20(26)16-22-8-10-24(11-9-22)19-6-4-18(21)5-7-19/h4-7,17H,3,8-16H2,1-2H3.
What are the key properties of 2-[4-(4-bromophenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone?
2-[4-(4-bromophenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 423.40 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 143404087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).