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

C16H22BrN3O2 — CID 18086174

IUPACN-(3-bromophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
SMILESCC(C)C(=O)N1CCN(CC(=O)Nc2cccc(Br)c2)CC1
InChIInChI=1S/C16H22BrN3O2/c1-12(2)16(22)20-8-6-19(7-9-20)11-15(21)18-14-5-3-4-13(17)10-14/h3-5,10,12H,6-9,11H2,1-2H3,(H,18,21)
InChIKeyAJQNWWNHZZJCLU-UHFFFAOYSA-N
MW368.28 g/mol
LogP2.19
Rot. Bonds4

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

N-(3-bromophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide (PubChem CID 18086174) has the molecular formula C16H22BrN3O2 and a molecular weight of 368.28 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
PubChem CID18086174
Molecular FormulaC16H22BrN3O2
Molecular Weight368.28 g/mol
Exact Mass367.09
IUPAC NameN-(3-bromophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
SMILESCC(C)C(=O)N1CCN(CC(=O)Nc2cccc(Br)c2)CC1
InChIInChI=1S/C16H22BrN3O2/c1-12(2)16(22)20-8-6-19(7-9-20)11-15(21)18-14-5-3-4-13(17)10-14/h3-5,10,12H,6-9,11H2,1-2H3,(H,18,21)
InChIKeyAJQNWWNHZZJCLU-UHFFFAOYSA-N
XLogP2.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 27855792
2-(azepan-1-yl)-N-(3-bromophenyl)acetamide
CID 2958639
N-(4-bromo-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 18086253
N-(3-bromophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31693337
1-[2-(3-bromoanilino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid
CID 63124915
N-(3-bromophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 2124819
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-bromophenyl)acetamide
CID 2574328
N-(3-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 2698418
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 18196358
1-[2-(3-bromoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8530969
N-(3-bromophenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 8993927
2-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 56792884

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide (CID 18086174) is N-(3-bromophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide is CC(C)C(=O)N1CCN(CC(=O)Nc2cccc(Br)c2)CC1.
What is the InChIKey of N-(3-bromophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide?
The InChIKey is AJQNWWNHZZJCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O2/c1-12(2)16(22)20-8-6-19(7-9-20)11-15(21)18-14-5-3-4-13(17)10-14/h3-5,10,12H,6-9,11H2,1-2H3,(H,18,21).
What are the key properties of N-(3-bromophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide?
N-(3-bromophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide has a molecular weight of 368.28 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 18086174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).