3-[(2-bromophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one

C15H22BrN3O — CID 62543752

IUPAC3-[(2-bromophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one
SMILESCN(CCC(=O)N1CCNCC1)Cc1ccccc1Br
InChIInChI=1S/C15H22BrN3O/c1-18(12-13-4-2-3-5-14(13)16)9-6-15(20)19-10-7-17-8-11-19/h2-5,17H,6-12H2,1H3
InChIKeyWCQBSCFGTGHPFG-UHFFFAOYSA-N
MW340.26 g/mol
LogP1.70
Rot. Bonds5

About 3-[(2-bromophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one

3-[(2-bromophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one (PubChem CID 62543752) has the molecular formula C15H22BrN3O and a molecular weight of 340.26 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(2-bromophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one
PubChem CID62543752
Molecular FormulaC15H22BrN3O
Molecular Weight340.26 g/mol
Exact Mass339.09
IUPAC Name3-[(2-bromophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one
SMILESCN(CCC(=O)N1CCNCC1)Cc1ccccc1Br
InChIInChI=1S/C15H22BrN3O/c1-18(12-13-4-2-3-5-14(13)16)9-6-15(20)19-10-7-17-8-11-19/h2-5,17H,6-12H2,1H3
InChIKeyWCQBSCFGTGHPFG-UHFFFAOYSA-N
XLogP1.70
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromophenyl)-1-(1,4-diazepan-1-yl)propan-1-one;hydrochloride
CID 119417749
3-[(3-bromophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980775
3-[methyl(pyridin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 55085672
2-[(2-bromo-5-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 61017528
5-[(2-bromophenyl)methyl-methylamino]pentan-2-one
CID 62035947
3-[(2,4-difluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 120980650
3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980411
2-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61018145
3-[methyl(1H-pyrazol-5-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982759
3-[methyl-[(2-phenyltriazol-4-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 120981009
1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide
CID 78787606
N-[(2-bromophenyl)methyl]piperazine-1-carboxamide
CID 83559377

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[(2-bromophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one (CID 62543752) is 3-[(2-bromophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(2-bromophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[(2-bromophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one is CN(CCC(=O)N1CCNCC1)Cc1ccccc1Br.
What is the InChIKey of 3-[(2-bromophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one?
The InChIKey is WCQBSCFGTGHPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-18(12-13-4-2-3-5-14(13)16)9-6-15(20)19-10-7-17-8-11-19/h2-5,17H,6-12H2,1H3.
What are the key properties of 3-[(2-bromophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one?
3-[(2-bromophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one has a molecular weight of 340.26 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 62543752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).