2-(4-benzoylpiperazin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide

C18H19BrN4O2 — CID 660992

IUPAC2-(4-benzoylpiperazin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1ccc(Br)cn1
InChIInChI=1S/C18H19BrN4O2/c19-15-6-7-16(20-12-15)21-17(24)13-22-8-10-23(11-9-22)18(25)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,20,21,24)
InChIKeyASKUVBPADNUQOY-UHFFFAOYSA-N
MW403.28 g/mol
LogP2.24
Rot. Bonds4

About 2-(4-benzoylpiperazin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide

2-(4-benzoylpiperazin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide (PubChem CID 660992) has the molecular formula C18H19BrN4O2 and a molecular weight of 403.28 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide
PubChem CID660992
Molecular FormulaC18H19BrN4O2
Molecular Weight403.28 g/mol
Exact Mass402.07
IUPAC Name2-(4-benzoylpiperazin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1ccc(Br)cn1
InChIInChI=1S/C18H19BrN4O2/c19-15-6-7-16(20-12-15)21-17(24)13-22-8-10-23(11-9-22)18(25)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,20,21,24)
InChIKeyASKUVBPADNUQOY-UHFFFAOYSA-N
XLogP2.24
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide (CID 660992) is 2-(4-benzoylpiperazin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide is O=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1ccc(Br)cn1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide?
The InChIKey is ASKUVBPADNUQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O2/c19-15-6-7-16(20-12-15)21-17(24)13-22-8-10-23(11-9-22)18(25)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,20,21,24).
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide?
2-(4-benzoylpiperazin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide has a molecular weight of 403.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide is sourced from PubChem (CID 660992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).