2-(4-bromophenyl)-N-[(4-methylpiperazin-2-yl)methyl]acetamide

C14H20BrN3O — CID 84606787

IUPAC2-(4-bromophenyl)-N-[(4-methylpiperazin-2-yl)methyl]acetamide
SMILESCN1CCNC(CNC(=O)Cc2ccc(Br)cc2)C1
InChIInChI=1S/C14H20BrN3O/c1-18-7-6-16-13(10-18)9-17-14(19)8-11-2-4-12(15)5-3-11/h2-5,13,16H,6-10H2,1H3,(H,17,19)
InChIKeyAUJRBMYMEXLCFE-UHFFFAOYSA-N
MW326.24 g/mol
LogP1.01
Rot. Bonds4

About 2-(4-bromophenyl)-N-[(4-methylpiperazin-2-yl)methyl]acetamide

2-(4-bromophenyl)-N-[(4-methylpiperazin-2-yl)methyl]acetamide (PubChem CID 84606787) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(4-methylpiperazin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(4-methylpiperazin-2-yl)methyl]acetamide
PubChem CID84606787
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name2-(4-bromophenyl)-N-[(4-methylpiperazin-2-yl)methyl]acetamide
SMILESCN1CCNC(CNC(=O)Cc2ccc(Br)cc2)C1
InChIInChI=1S/C14H20BrN3O/c1-18-7-6-16-13(10-18)9-17-14(19)8-11-2-4-12(15)5-3-11/h2-5,13,16H,6-10H2,1H3,(H,17,19)
InChIKeyAUJRBMYMEXLCFE-UHFFFAOYSA-N
XLogP1.01
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238651
N-[(2-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238694
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238664
2-(4-methylphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
CID 115238743
1-(4-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one
CID 115414660
1-(5-bromo-2-fluorophenyl)-2-(4-methylpiperazin-2-yl)ethanone
CID 116920030
2-(4-iodophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide
CID 67166754
N-[2-(4-bromophenyl)ethyl]-4-methylpiperazine-1-carboxamide
CID 108902313
2-(4-bromophenyl)-1-(4-methylmorpholin-2-yl)ethanone
CID 79078303
2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119509770
2-(4-methylpiperazin-2-yl)-1-phenylethanone
CID 116919993
2-phenyl-N-(piperazin-2-ylmethyl)acetamide
CID 151558064

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(4-methylpiperazin-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(4-methylpiperazin-2-yl)methyl]acetamide (CID 84606787) is 2-(4-bromophenyl)-N-[(4-methylpiperazin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(4-methylpiperazin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(4-methylpiperazin-2-yl)methyl]acetamide is CN1CCNC(CNC(=O)Cc2ccc(Br)cc2)C1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(4-methylpiperazin-2-yl)methyl]acetamide?
The InChIKey is AUJRBMYMEXLCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-18-7-6-16-13(10-18)9-17-14(19)8-11-2-4-12(15)5-3-11/h2-5,13,16H,6-10H2,1H3,(H,17,19).
What are the key properties of 2-(4-bromophenyl)-N-[(4-methylpiperazin-2-yl)methyl]acetamide?
2-(4-bromophenyl)-N-[(4-methylpiperazin-2-yl)methyl]acetamide has a molecular weight of 326.24 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(4-methylpiperazin-2-yl)methyl]acetamide is sourced from PubChem (CID 84606787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).