N-(2,1,3-benzoselenadiazol-4-yl)-2-piperazin-1-ylacetamide

C12H15N5OSe — CID 54928472

IUPACN-(2,1,3-benzoselenadiazol-4-yl)-2-piperazin-1-ylacetamide
SMILESO=C(CN1CCNCC1)Nc1cccc2n[se]nc12
InChIInChI=1S/C12H15N5OSe/c18-11(8-17-6-4-13-5-7-17)14-9-2-1-3-10-12(9)16-19-15-10/h1-3,13H,4-8H2,(H,14,18)
InChIKeyWCVQPUILDBQHLJ-UHFFFAOYSA-N
MW324.25 g/mol
LogP-0.47
Rot. Bonds3

About N-(2,1,3-benzoselenadiazol-4-yl)-2-piperazin-1-ylacetamide

N-(2,1,3-benzoselenadiazol-4-yl)-2-piperazin-1-ylacetamide (PubChem CID 54928472) has the molecular formula C12H15N5OSe and a molecular weight of 324.25 g/mol. Its IUPAC name is N-(2,1,3-benzoselenadiazol-4-yl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(2,1,3-benzoselenadiazol-4-yl)-2-piperazin-1-ylacetamide
PubChem CID54928472
Molecular FormulaC12H15N5OSe
Molecular Weight324.25 g/mol
Exact Mass325.04
IUPAC NameN-(2,1,3-benzoselenadiazol-4-yl)-2-piperazin-1-ylacetamide
SMILESO=C(CN1CCNCC1)Nc1cccc2n[se]nc12
InChIInChI=1S/C12H15N5OSe/c18-11(8-17-6-4-13-5-7-17)14-9-2-1-3-10-12(9)16-19-15-10/h1-3,13H,4-8H2,(H,14,18)
InChIKeyWCVQPUILDBQHLJ-UHFFFAOYSA-N
XLogP-0.47
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide
CID 142082017
N-(2,1,3-benzoselenadiazol-4-yl)-2-(cyclopropylamino)acetamide
CID 60843224
N-(2,1,3-benzoselenadiazol-4-yl)-4-chlorobutanamide
CID 63307741
5-(2,1,3-benzoselenadiazol-4-ylamino)-5-oxopentanoic acid
CID 60662508
N-(2,1,3-benzoselenadiazol-4-yl)-3-(ethylamino)butanamide
CID 62839530
2-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzoic acid
CID 62838706
methyl 2-methyl-3-[(2-piperazin-1-ylacetyl)amino]benzoate
CID 60850740
N-[2-(dimethylamino)-3-pyridinyl]-2-piperazin-1-ylacetamide
CID 60850191
2-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]phenyl]acetamide
CID 62837195
N-(2-ethylsulfonylphenyl)-2-piperazin-1-ylacetamide
CID 60850903
N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide
CID 60850914
ethyl 4-(2,1,3-benzoselenadiazol-4-ylamino)-4-oxobutanoate
CID 60636239

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoselenadiazol-4-yl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-(2,1,3-benzoselenadiazol-4-yl)-2-piperazin-1-ylacetamide (CID 54928472) is N-(2,1,3-benzoselenadiazol-4-yl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(2,1,3-benzoselenadiazol-4-yl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(2,1,3-benzoselenadiazol-4-yl)-2-piperazin-1-ylacetamide is O=C(CN1CCNCC1)Nc1cccc2n[se]nc12.
What is the InChIKey of N-(2,1,3-benzoselenadiazol-4-yl)-2-piperazin-1-ylacetamide?
The InChIKey is WCVQPUILDBQHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OSe/c18-11(8-17-6-4-13-5-7-17)14-9-2-1-3-10-12(9)16-19-15-10/h1-3,13H,4-8H2,(H,14,18).
What are the key properties of N-(2,1,3-benzoselenadiazol-4-yl)-2-piperazin-1-ylacetamide?
N-(2,1,3-benzoselenadiazol-4-yl)-2-piperazin-1-ylacetamide has a molecular weight of 324.25 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoselenadiazol-4-yl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 54928472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).