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

C12H15NO2S — CID 82388952

IUPAC5-methyl-4-[(4-oxopiperidin-1-yl)methyl]thiophene-3-carbaldehyde
SMILESCc1scc(C=O)c1CN1CCC(=O)CC1
InChIInChI=1S/C12H15NO2S/c1-9-12(10(7-14)8-16-9)6-13-4-2-11(15)3-5-13/h7-8H,2-6H2,1H3
InChIKeyADDWHEPMNXKTSO-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.03
Rot. Bonds3

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

5-methyl-4-[(4-oxopiperidin-1-yl)methyl]thiophene-3-carbaldehyde (PubChem CID 82388952) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 5-methyl-4-[(4-oxopiperidin-1-yl)methyl]thiophene-3-carbaldehyde.

Molecular Properties

Compound Name5-methyl-4-[(4-oxopiperidin-1-yl)methyl]thiophene-3-carbaldehyde
PubChem CID82388952
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name5-methyl-4-[(4-oxopiperidin-1-yl)methyl]thiophene-3-carbaldehyde
SMILESCc1scc(C=O)c1CN1CCC(=O)CC1
InChIInChI=1S/C12H15NO2S/c1-9-12(10(7-14)8-16-9)6-13-4-2-11(15)3-5-13/h7-8H,2-6H2,1H3
InChIKeyADDWHEPMNXKTSO-UHFFFAOYSA-N
XLogP2.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.03
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-methyl-4-[(4-oxopiperidin-1-yl)methyl]thiophene-3-carbaldehyde?
The IUPAC name of 5-methyl-4-[(4-oxopiperidin-1-yl)methyl]thiophene-3-carbaldehyde (CID 82388952) is 5-methyl-4-[(4-oxopiperidin-1-yl)methyl]thiophene-3-carbaldehyde.
What is the SMILES notation for 5-methyl-4-[(4-oxopiperidin-1-yl)methyl]thiophene-3-carbaldehyde?
The canonical SMILES for 5-methyl-4-[(4-oxopiperidin-1-yl)methyl]thiophene-3-carbaldehyde is Cc1scc(C=O)c1CN1CCC(=O)CC1.
What is the InChIKey of 5-methyl-4-[(4-oxopiperidin-1-yl)methyl]thiophene-3-carbaldehyde?
The InChIKey is ADDWHEPMNXKTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-9-12(10(7-14)8-16-9)6-13-4-2-11(15)3-5-13/h7-8H,2-6H2,1H3.
What are the key properties of 5-methyl-4-[(4-oxopiperidin-1-yl)methyl]thiophene-3-carbaldehyde?
5-methyl-4-[(4-oxopiperidin-1-yl)methyl]thiophene-3-carbaldehyde has a molecular weight of 237.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(4-oxopiperidin-1-yl)methyl]thiophene-3-carbaldehyde is sourced from PubChem (CID 82388952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).