5-[(4-oxopiperidin-1-yl)methyl]thiophene-3-carbaldehyde

C11H13NO2S — CID 82391964

IUPAC5-[(4-oxopiperidin-1-yl)methyl]thiophene-3-carbaldehyde
SMILESO=Cc1csc(CN2CCC(=O)CC2)c1
InChIInChI=1S/C11H13NO2S/c13-7-9-5-11(15-8-9)6-12-3-1-10(14)2-4-12/h5,7-8H,1-4,6H2
InChIKeyHDOPLCKYNILABH-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.73
Rot. Bonds3

About 5-[(4-oxopiperidin-1-yl)methyl]thiophene-3-carbaldehyde

5-[(4-oxopiperidin-1-yl)methyl]thiophene-3-carbaldehyde (PubChem CID 82391964) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 5-[(4-oxopiperidin-1-yl)methyl]thiophene-3-carbaldehyde.

Molecular Properties

Compound Name5-[(4-oxopiperidin-1-yl)methyl]thiophene-3-carbaldehyde
PubChem CID82391964
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name5-[(4-oxopiperidin-1-yl)methyl]thiophene-3-carbaldehyde
SMILESO=Cc1csc(CN2CCC(=O)CC2)c1
InChIInChI=1S/C11H13NO2S/c13-7-9-5-11(15-8-9)6-12-3-1-10(14)2-4-12/h5,7-8H,1-4,6H2
InChIKeyHDOPLCKYNILABH-UHFFFAOYSA-N
XLogP1.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-oxopiperidin-1-yl)methyl]thiophene-3-carbaldehyde?
The IUPAC name of 5-[(4-oxopiperidin-1-yl)methyl]thiophene-3-carbaldehyde (CID 82391964) is 5-[(4-oxopiperidin-1-yl)methyl]thiophene-3-carbaldehyde.
What is the SMILES notation for 5-[(4-oxopiperidin-1-yl)methyl]thiophene-3-carbaldehyde?
The canonical SMILES for 5-[(4-oxopiperidin-1-yl)methyl]thiophene-3-carbaldehyde is O=Cc1csc(CN2CCC(=O)CC2)c1.
What is the InChIKey of 5-[(4-oxopiperidin-1-yl)methyl]thiophene-3-carbaldehyde?
The InChIKey is HDOPLCKYNILABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c13-7-9-5-11(15-8-9)6-12-3-1-10(14)2-4-12/h5,7-8H,1-4,6H2.
What are the key properties of 5-[(4-oxopiperidin-1-yl)methyl]thiophene-3-carbaldehyde?
5-[(4-oxopiperidin-1-yl)methyl]thiophene-3-carbaldehyde has a molecular weight of 223.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-oxopiperidin-1-yl)methyl]thiophene-3-carbaldehyde is sourced from PubChem (CID 82391964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).