N-(4-bromophenyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide

C18H22BrN5O2 — CID 86959706

IUPACN-(4-bromophenyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide
SMILESCOc1cncc(N2CCN(C(C)C(=O)Nc3ccc(Br)cc3)CC2)n1
InChIInChI=1S/C18H22BrN5O2/c1-13(18(25)21-15-5-3-14(19)4-6-15)23-7-9-24(10-8-23)16-11-20-12-17(22-16)26-2/h3-6,11-13H,7-10H2,1-2H3,(H,21,25)
InChIKeyXKTSRCGSBYPLOJ-UHFFFAOYSA-N
MW420.31 g/mol
LogP2.40
Rot. Bonds5

About N-(4-bromophenyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide

N-(4-bromophenyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide (PubChem CID 86959706) has the molecular formula C18H22BrN5O2 and a molecular weight of 420.31 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide
PubChem CID86959706
Molecular FormulaC18H22BrN5O2
Molecular Weight420.31 g/mol
Exact Mass419.10
IUPAC NameN-(4-bromophenyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide
SMILESCOc1cncc(N2CCN(C(C)C(=O)Nc3ccc(Br)cc3)CC2)n1
InChIInChI=1S/C18H22BrN5O2/c1-13(18(25)21-15-5-3-14(19)4-6-15)23-7-9-24(10-8-23)16-11-20-12-17(22-16)26-2/h3-6,11-13H,7-10H2,1-2H3,(H,21,25)
InChIKeyXKTSRCGSBYPLOJ-UHFFFAOYSA-N
XLogP2.40
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 46444817
2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide
CID 86959656
(2S)-N-(4-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2096677
N-(4-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 4264771
2-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrazine
CID 166710904
4-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]propanoylamino]benzamide
CID 55682733
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 18078494
N-(4-bromophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 3957951
N-(4-bromophenyl)-2-piperazin-1-ylpropanamide
CID 43089557
N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 18078500
N-phenyl-2-(4-pyrazin-2-ylpiperazin-1-yl)propanamide
CID 18167936
[1-(4-bromophenyl)pyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
CID 86958883

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide?
The IUPAC name of N-(4-bromophenyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide (CID 86959706) is N-(4-bromophenyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(4-bromophenyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide is COc1cncc(N2CCN(C(C)C(=O)Nc3ccc(Br)cc3)CC2)n1.
What is the InChIKey of N-(4-bromophenyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide?
The InChIKey is XKTSRCGSBYPLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN5O2/c1-13(18(25)21-15-5-3-14(19)4-6-15)23-7-9-24(10-8-23)16-11-20-12-17(22-16)26-2/h3-6,11-13H,7-10H2,1-2H3,(H,21,25).
What are the key properties of N-(4-bromophenyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide?
N-(4-bromophenyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide has a molecular weight of 420.31 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 86959706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).