6-benzoyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-benzoselenazol-2-one

C26H25N3O2Se — CID 22847572

IUPAC6-benzoyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-benzoselenazol-2-one
SMILESO=C(c1ccccc1)c1ccc2c(c1)[se]c(=O)n2CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H25N3O2Se/c30-25(20-7-3-1-4-8-20)21-11-12-23-24(19-21)32-26(31)29(23)18-15-27-13-16-28(17-14-27)22-9-5-2-6-10-22/h1-12,19H,13-18H2
InChIKeyNHZAARVFVZWGMZ-UHFFFAOYSA-N
MW490.47 g/mol
LogP3.11
Rot. Bonds6

About 6-benzoyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-benzoselenazol-2-one

6-benzoyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-benzoselenazol-2-one (PubChem CID 22847572) has the molecular formula C26H25N3O2Se and a molecular weight of 490.47 g/mol. Its IUPAC name is 6-benzoyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-benzoselenazol-2-one.

Molecular Properties

Compound Name6-benzoyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-benzoselenazol-2-one
PubChem CID22847572
Molecular FormulaC26H25N3O2Se
Molecular Weight490.47 g/mol
Exact Mass491.11
IUPAC Name6-benzoyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-benzoselenazol-2-one
SMILESO=C(c1ccccc1)c1ccc2c(c1)[se]c(=O)n2CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H25N3O2Se/c30-25(20-7-3-1-4-8-20)21-11-12-23-24(19-21)32-26(31)29(23)18-15-27-13-16-28(17-14-27)22-9-5-2-6-10-22/h1-12,19H,13-18H2
InChIKeyNHZAARVFVZWGMZ-UHFFFAOYSA-N
XLogP3.11
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.47
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-benzoyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-benzoselenazol-2-one?
The IUPAC name of 6-benzoyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-benzoselenazol-2-one (CID 22847572) is 6-benzoyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-benzoselenazol-2-one.
What is the SMILES notation for 6-benzoyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-benzoselenazol-2-one?
The canonical SMILES for 6-benzoyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-benzoselenazol-2-one is O=C(c1ccccc1)c1ccc2c(c1)[se]c(=O)n2CCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 6-benzoyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-benzoselenazol-2-one?
The InChIKey is NHZAARVFVZWGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2Se/c30-25(20-7-3-1-4-8-20)21-11-12-23-24(19-21)32-26(31)29(23)18-15-27-13-16-28(17-14-27)22-9-5-2-6-10-22/h1-12,19H,13-18H2.
What are the key properties of 6-benzoyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-benzoselenazol-2-one?
6-benzoyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-benzoselenazol-2-one has a molecular weight of 490.47 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzoyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-benzoselenazol-2-one is sourced from PubChem (CID 22847572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).