4-(2-bromobenzoyl)-3-phenylpiperazin-2-one

C17H15BrN2O2 — CID 110419857

IUPAC4-(2-bromobenzoyl)-3-phenylpiperazin-2-one
SMILESO=C1NCCN(C(=O)c2ccccc2Br)C1c1ccccc1
InChIInChI=1S/C17H15BrN2O2/c18-14-9-5-4-8-13(14)17(22)20-11-10-19-16(21)15(20)12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,19,21)
InChIKeyKLTGRZZOPAYRJF-UHFFFAOYSA-N
MW359.22 g/mol
LogP2.76
Rot. Bonds2

About 4-(2-bromobenzoyl)-3-phenylpiperazin-2-one

4-(2-bromobenzoyl)-3-phenylpiperazin-2-one (PubChem CID 110419857) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is 4-(2-bromobenzoyl)-3-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-bromobenzoyl)-3-phenylpiperazin-2-one
PubChem CID110419857
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC Name4-(2-bromobenzoyl)-3-phenylpiperazin-2-one
SMILESO=C1NCCN(C(=O)c2ccccc2Br)C1c1ccccc1
InChIInChI=1S/C17H15BrN2O2/c18-14-9-5-4-8-13(14)17(22)20-11-10-19-16(21)15(20)12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,19,21)
InChIKeyKLTGRZZOPAYRJF-UHFFFAOYSA-N
XLogP2.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromobenzoyl)-3-phenylpiperazin-2-one?
The IUPAC name of 4-(2-bromobenzoyl)-3-phenylpiperazin-2-one (CID 110419857) is 4-(2-bromobenzoyl)-3-phenylpiperazin-2-one.
What is the SMILES notation for 4-(2-bromobenzoyl)-3-phenylpiperazin-2-one?
The canonical SMILES for 4-(2-bromobenzoyl)-3-phenylpiperazin-2-one is O=C1NCCN(C(=O)c2ccccc2Br)C1c1ccccc1.
What is the InChIKey of 4-(2-bromobenzoyl)-3-phenylpiperazin-2-one?
The InChIKey is KLTGRZZOPAYRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c18-14-9-5-4-8-13(14)17(22)20-11-10-19-16(21)15(20)12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,19,21).
What are the key properties of 4-(2-bromobenzoyl)-3-phenylpiperazin-2-one?
4-(2-bromobenzoyl)-3-phenylpiperazin-2-one has a molecular weight of 359.22 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromobenzoyl)-3-phenylpiperazin-2-one is sourced from PubChem (CID 110419857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).