N-(4-bromophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C16H18BrN5O — CID 6468098

IUPACN-(4-bromophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ncccn2)CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C16H18BrN5O/c17-13-2-4-14(5-3-13)20-15(23)12-21-8-10-22(11-9-21)16-18-6-1-7-19-16/h1-7H,8-12H2,(H,20,23)
InChIKeyGJMZZLKEKWURKO-UHFFFAOYSA-N
MW376.26 g/mol
LogP2.00
Rot. Bonds4

About N-(4-bromophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

N-(4-bromophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 6468098) has the molecular formula C16H18BrN5O and a molecular weight of 376.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID6468098
Molecular FormulaC16H18BrN5O
Molecular Weight376.26 g/mol
Exact Mass375.07
IUPAC NameN-(4-bromophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ncccn2)CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C16H18BrN5O/c17-13-2-4-14(5-3-13)20-15(23)12-21-8-10-22(11-9-21)16-18-6-1-7-19-16/h1-7H,8-12H2,(H,20,23)
InChIKeyGJMZZLKEKWURKO-UHFFFAOYSA-N
XLogP2.00
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6465380
N-(3,4-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8542787
N-(4-bromo-2-chlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6469671
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 22199039
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetohydrazide
CID 63569943
N-(3-chloro-4-cyanophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8541968
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 55758856
N-(3-nitrophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8542989
N-(2-ethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6469187
2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide
CID 22199066
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide
CID 37406520
N-[3-(4-bromoanilino)-3-oxopropyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 55979213

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 6468098) is N-(4-bromophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ncccn2)CC1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is GJMZZLKEKWURKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN5O/c17-13-2-4-14(5-3-13)20-15(23)12-21-8-10-22(11-9-21)16-18-6-1-7-19-16/h1-7H,8-12H2,(H,20,23).
What are the key properties of N-(4-bromophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
N-(4-bromophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 376.26 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 6468098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).