N-(3-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide

C19H22BrN3O2 — CID 2698418

IUPACN-(3-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1cccc(N2CCN(CC(=O)Nc3cccc(Br)c3)CC2)c1
InChIInChI=1S/C19H22BrN3O2/c1-25-18-7-3-6-17(13-18)23-10-8-22(9-11-23)14-19(24)21-16-5-2-4-15(20)12-16/h2-7,12-13H,8-11,14H2,1H3,(H,21,24)
InChIKeySIHJYFPITXZJIO-UHFFFAOYSA-N
MW404.31 g/mol
LogP3.22
Rot. Bonds5

About N-(3-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide

N-(3-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide (PubChem CID 2698418) has the molecular formula C19H22BrN3O2 and a molecular weight of 404.31 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
PubChem CID2698418
Molecular FormulaC19H22BrN3O2
Molecular Weight404.31 g/mol
Exact Mass403.09
IUPAC NameN-(3-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1cccc(N2CCN(CC(=O)Nc3cccc(Br)c3)CC2)c1
InChIInChI=1S/C19H22BrN3O2/c1-25-18-7-3-6-17(13-18)23-10-8-22(9-11-23)14-19(24)21-16-5-2-4-15(20)12-16/h2-7,12-13H,8-11,14H2,1H3,(H,21,24)
InChIKeySIHJYFPITXZJIO-UHFFFAOYSA-N
XLogP3.22
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 8592549
N-(4-acetamidophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 41312804
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2698408
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 1443713
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-bromophenyl)acetamide
CID 2574328
N-(3-acetylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 7935502
N-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 78787987
N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
CID 2958479
N-(2,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6466970
N-(3-chloro-4-cyanophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 2698398
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 7336695

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide (CID 2698418) is N-(3-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide is COc1cccc(N2CCN(CC(=O)Nc3cccc(Br)c3)CC2)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is SIHJYFPITXZJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O2/c1-25-18-7-3-6-17(13-18)23-10-8-22(9-11-23)14-19(24)21-16-5-2-4-15(20)12-16/h2-7,12-13H,8-11,14H2,1H3,(H,21,24).
What are the key properties of N-(3-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide?
N-(3-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 404.31 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 2698418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).