(4-methylselenadiazol-5-yl)-piperidin-1-ylmethanone

C9H13N3OSe — CID 16724977

IUPAC(4-methylselenadiazol-5-yl)-piperidin-1-ylmethanone
SMILESCc1nn[se]c1C(=O)N1CCCCC1
InChIInChI=1S/C9H13N3OSe/c1-7-8(14-11-10-7)9(13)12-5-3-2-4-6-12/h2-6H2,1H3
InChIKeyDJLFZVUJJTXICP-UHFFFAOYSA-N
MW258.18 g/mol
LogP0.47
Rot. Bonds1

About (4-methylselenadiazol-5-yl)-piperidin-1-ylmethanone

(4-methylselenadiazol-5-yl)-piperidin-1-ylmethanone (PubChem CID 16724977) has the molecular formula C9H13N3OSe and a molecular weight of 258.18 g/mol. Its IUPAC name is (4-methylselenadiazol-5-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-methylselenadiazol-5-yl)-piperidin-1-ylmethanone
PubChem CID16724977
Molecular FormulaC9H13N3OSe
Molecular Weight258.18 g/mol
Exact Mass259.02
IUPAC Name(4-methylselenadiazol-5-yl)-piperidin-1-ylmethanone
SMILESCc1nn[se]c1C(=O)N1CCCCC1
InChIInChI=1S/C9H13N3OSe/c1-7-8(14-11-10-7)9(13)12-5-3-2-4-6-12/h2-6H2,1H3
InChIKeyDJLFZVUJJTXICP-UHFFFAOYSA-N
XLogP0.47
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.18
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (4-methylselenadiazol-5-yl)-piperidin-1-ylmethanone?
The IUPAC name of (4-methylselenadiazol-5-yl)-piperidin-1-ylmethanone (CID 16724977) is (4-methylselenadiazol-5-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-methylselenadiazol-5-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-methylselenadiazol-5-yl)-piperidin-1-ylmethanone is Cc1nn[se]c1C(=O)N1CCCCC1.
What is the InChIKey of (4-methylselenadiazol-5-yl)-piperidin-1-ylmethanone?
The InChIKey is DJLFZVUJJTXICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OSe/c1-7-8(14-11-10-7)9(13)12-5-3-2-4-6-12/h2-6H2,1H3.
What are the key properties of (4-methylselenadiazol-5-yl)-piperidin-1-ylmethanone?
(4-methylselenadiazol-5-yl)-piperidin-1-ylmethanone has a molecular weight of 258.18 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylselenadiazol-5-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 16724977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).