2-oxo-2-piperidin-1-yl-N-(thiophen-2-ylmethylideneamino)acetamide

C12H15N3O2S — CID 2244360

IUPAC2-oxo-2-piperidin-1-yl-N-(thiophen-2-ylmethylideneamino)acetamide
SMILESO=C(NN=Cc1cccs1)C(=O)N1CCCCC1
InChIInChI=1S/C12H15N3O2S/c16-11(12(17)15-6-2-1-3-7-15)14-13-9-10-5-4-8-18-10/h4-5,8-9H,1-3,6-7H2,(H,14,16)
InChIKeyQACUNYORPJSGMT-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.21
Rot. Bonds2

About 2-oxo-2-piperidin-1-yl-N-(thiophen-2-ylmethylideneamino)acetamide

2-oxo-2-piperidin-1-yl-N-(thiophen-2-ylmethylideneamino)acetamide (PubChem CID 2244360) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-oxo-2-piperidin-1-yl-N-(thiophen-2-ylmethylideneamino)acetamide.

Molecular Properties

Compound Name2-oxo-2-piperidin-1-yl-N-(thiophen-2-ylmethylideneamino)acetamide
PubChem CID2244360
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name2-oxo-2-piperidin-1-yl-N-(thiophen-2-ylmethylideneamino)acetamide
SMILESO=C(NN=Cc1cccs1)C(=O)N1CCCCC1
InChIInChI=1S/C12H15N3O2S/c16-11(12(17)15-6-2-1-3-7-15)14-13-9-10-5-4-8-18-10/h4-5,8-9H,1-3,6-7H2,(H,14,16)
InChIKeyQACUNYORPJSGMT-UHFFFAOYSA-N
XLogP1.21
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-piperidin-1-yl-N-(thiophen-2-ylmethylideneamino)acetamide?
The IUPAC name of 2-oxo-2-piperidin-1-yl-N-(thiophen-2-ylmethylideneamino)acetamide (CID 2244360) is 2-oxo-2-piperidin-1-yl-N-(thiophen-2-ylmethylideneamino)acetamide.
What is the SMILES notation for 2-oxo-2-piperidin-1-yl-N-(thiophen-2-ylmethylideneamino)acetamide?
The canonical SMILES for 2-oxo-2-piperidin-1-yl-N-(thiophen-2-ylmethylideneamino)acetamide is O=C(NN=Cc1cccs1)C(=O)N1CCCCC1.
What is the InChIKey of 2-oxo-2-piperidin-1-yl-N-(thiophen-2-ylmethylideneamino)acetamide?
The InChIKey is QACUNYORPJSGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c16-11(12(17)15-6-2-1-3-7-15)14-13-9-10-5-4-8-18-10/h4-5,8-9H,1-3,6-7H2,(H,14,16).
What are the key properties of 2-oxo-2-piperidin-1-yl-N-(thiophen-2-ylmethylideneamino)acetamide?
2-oxo-2-piperidin-1-yl-N-(thiophen-2-ylmethylideneamino)acetamide has a molecular weight of 265.34 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-piperidin-1-yl-N-(thiophen-2-ylmethylideneamino)acetamide is sourced from PubChem (CID 2244360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).