2-(4-benzoylpiperazin-1-yl)-N-(3,5-dibromo-2-pyridinyl)acetamide

C18H18Br2N4O2 — CID 661097

IUPAC2-(4-benzoylpiperazin-1-yl)-N-(3,5-dibromo-2-pyridinyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1ncc(Br)cc1Br
InChIInChI=1S/C18H18Br2N4O2/c19-14-10-15(20)17(21-11-14)22-16(25)12-23-6-8-24(9-7-23)18(26)13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2,(H,21,22,25)
InChIKeyKHFZHDTUQNYQFQ-UHFFFAOYSA-N
MW482.18 g/mol
LogP3.00
Rot. Bonds4

About 2-(4-benzoylpiperazin-1-yl)-N-(3,5-dibromo-2-pyridinyl)acetamide

2-(4-benzoylpiperazin-1-yl)-N-(3,5-dibromo-2-pyridinyl)acetamide (PubChem CID 661097) has the molecular formula C18H18Br2N4O2 and a molecular weight of 482.18 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-N-(3,5-dibromo-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-N-(3,5-dibromo-2-pyridinyl)acetamide
PubChem CID661097
Molecular FormulaC18H18Br2N4O2
Molecular Weight482.18 g/mol
Exact Mass479.98
IUPAC Name2-(4-benzoylpiperazin-1-yl)-N-(3,5-dibromo-2-pyridinyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1ncc(Br)cc1Br
InChIInChI=1S/C18H18Br2N4O2/c19-14-10-15(20)17(21-11-14)22-16(25)12-23-6-8-24(9-7-23)18(26)13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2,(H,21,22,25)
InChIKeyKHFZHDTUQNYQFQ-UHFFFAOYSA-N
XLogP3.00
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.18
LogP ≤ 53.00
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-(3,5-dibromo-2-pyridinyl)acetamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-(3,5-dibromo-2-pyridinyl)acetamide (CID 661097) is 2-(4-benzoylpiperazin-1-yl)-N-(3,5-dibromo-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-N-(3,5-dibromo-2-pyridinyl)acetamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-N-(3,5-dibromo-2-pyridinyl)acetamide is O=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1ncc(Br)cc1Br.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-N-(3,5-dibromo-2-pyridinyl)acetamide?
The InChIKey is KHFZHDTUQNYQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Br2N4O2/c19-14-10-15(20)17(21-11-14)22-16(25)12-23-6-8-24(9-7-23)18(26)13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2,(H,21,22,25).
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-N-(3,5-dibromo-2-pyridinyl)acetamide?
2-(4-benzoylpiperazin-1-yl)-N-(3,5-dibromo-2-pyridinyl)acetamide has a molecular weight of 482.18 g/mol, XLogP of 3.00, 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-(3,5-dibromo-2-pyridinyl)acetamide is sourced from PubChem (CID 661097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).