4-(5-oxo-3,4-dihydro-2H-thieno[3,2-b]pyridin-6-yl)piperidine-1-carbaldehyde

C13H16N2O2S — CID 89223498

IUPAC4-(5-oxo-3,4-dihydro-2H-thieno[3,2-b]pyridin-6-yl)piperidine-1-carbaldehyde
SMILESO=CN1CCC(c2cc3c([nH]c2=O)CCS3)CC1
InChIInChI=1S/C13H16N2O2S/c16-8-15-4-1-9(2-5-15)10-7-12-11(3-6-18-12)14-13(10)17/h7-9H,1-6H2,(H,14,17)
InChIKeyZYSTZZUXCDTOTL-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.36
Rot. Bonds2

About 4-(5-oxo-3,4-dihydro-2H-thieno[3,2-b]pyridin-6-yl)piperidine-1-carbaldehyde

4-(5-oxo-3,4-dihydro-2H-thieno[3,2-b]pyridin-6-yl)piperidine-1-carbaldehyde (PubChem CID 89223498) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-(5-oxo-3,4-dihydro-2H-thieno[3,2-b]pyridin-6-yl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-(5-oxo-3,4-dihydro-2H-thieno[3,2-b]pyridin-6-yl)piperidine-1-carbaldehyde
PubChem CID89223498
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name4-(5-oxo-3,4-dihydro-2H-thieno[3,2-b]pyridin-6-yl)piperidine-1-carbaldehyde
SMILESO=CN1CCC(c2cc3c([nH]c2=O)CCS3)CC1
InChIInChI=1S/C13H16N2O2S/c16-8-15-4-1-9(2-5-15)10-7-12-11(3-6-18-12)14-13(10)17/h7-9H,1-6H2,(H,14,17)
InChIKeyZYSTZZUXCDTOTL-UHFFFAOYSA-N
XLogP1.36
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-oxo-3,4-dihydro-2H-thieno[3,2-b]pyridin-6-yl)piperidine-1-carbaldehyde?
The IUPAC name of 4-(5-oxo-3,4-dihydro-2H-thieno[3,2-b]pyridin-6-yl)piperidine-1-carbaldehyde (CID 89223498) is 4-(5-oxo-3,4-dihydro-2H-thieno[3,2-b]pyridin-6-yl)piperidine-1-carbaldehyde.
What is the SMILES notation for 4-(5-oxo-3,4-dihydro-2H-thieno[3,2-b]pyridin-6-yl)piperidine-1-carbaldehyde?
The canonical SMILES for 4-(5-oxo-3,4-dihydro-2H-thieno[3,2-b]pyridin-6-yl)piperidine-1-carbaldehyde is O=CN1CCC(c2cc3c([nH]c2=O)CCS3)CC1.
What is the InChIKey of 4-(5-oxo-3,4-dihydro-2H-thieno[3,2-b]pyridin-6-yl)piperidine-1-carbaldehyde?
The InChIKey is ZYSTZZUXCDTOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c16-8-15-4-1-9(2-5-15)10-7-12-11(3-6-18-12)14-13(10)17/h7-9H,1-6H2,(H,14,17).
What are the key properties of 4-(5-oxo-3,4-dihydro-2H-thieno[3,2-b]pyridin-6-yl)piperidine-1-carbaldehyde?
4-(5-oxo-3,4-dihydro-2H-thieno[3,2-b]pyridin-6-yl)piperidine-1-carbaldehyde has a molecular weight of 264.35 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-oxo-3,4-dihydro-2H-thieno[3,2-b]pyridin-6-yl)piperidine-1-carbaldehyde is sourced from PubChem (CID 89223498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).