2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide

C17H18BrClN4O — CID 37406520

IUPAC2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide
SMILESO=C(CN1CCN(c2ccc(Br)cn2)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H18BrClN4O/c18-13-1-6-16(20-11-13)23-9-7-22(8-10-23)12-17(24)21-15-4-2-14(19)3-5-15/h1-6,11H,7-10,12H2,(H,21,24)
InChIKeyUDIKISWZVNQAMW-UHFFFAOYSA-N
MW409.72 g/mol
LogP3.26
Rot. Bonds4

About 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide

2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide (PubChem CID 37406520) has the molecular formula C17H18BrClN4O and a molecular weight of 409.72 g/mol. Its IUPAC name is 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide
PubChem CID37406520
Molecular FormulaC17H18BrClN4O
Molecular Weight409.72 g/mol
Exact Mass408.04
IUPAC Name2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide
SMILESO=C(CN1CCN(c2ccc(Br)cn2)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H18BrClN4O/c18-13-1-6-16(20-11-13)23-9-7-22(8-10-23)12-17(24)21-15-4-2-14(19)3-5-15/h1-6,11H,7-10,12H2,(H,21,24)
InChIKeyUDIKISWZVNQAMW-UHFFFAOYSA-N
XLogP3.26
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.72
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 46429199
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 37406662
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 37406824
N-(5-bromo-2-pyridinyl)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195869
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 37406488
3-[[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide
CID 37408790
N-(4-bromophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6468098
N-(4-chlorophenyl)-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide
CID 133418047
N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide
CID 155391895
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 37407972
N-(4-methylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 29107496
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 37407100

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide (CID 37406520) is 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide is O=C(CN1CCN(c2ccc(Br)cn2)CC1)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide?
The InChIKey is UDIKISWZVNQAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClN4O/c18-13-1-6-16(20-11-13)23-9-7-22(8-10-23)12-17(24)21-15-4-2-14(19)3-5-15/h1-6,11H,7-10,12H2,(H,21,24).
What are the key properties of 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide?
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide has a molecular weight of 409.72 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 37406520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).