5-iodo-N-[(1-methylpiperidin-4-yl)methyl]thiophene-3-carboxamide

C12H17IN2OS — CID 78949608

IUPAC5-iodo-N-[(1-methylpiperidin-4-yl)methyl]thiophene-3-carboxamide
SMILESCN1CCC(CNC(=O)c2csc(I)c2)CC1
InChIInChI=1S/C12H17IN2OS/c1-15-4-2-9(3-5-15)7-14-12(16)10-6-11(13)17-8-10/h6,8-9H,2-5,7H2,1H3,(H,14,16)
InChIKeyUTHPNSOXIOHESV-UHFFFAOYSA-N
MW364.25 g/mol
LogP2.42
Rot. Bonds3

About 5-iodo-N-[(1-methylpiperidin-4-yl)methyl]thiophene-3-carboxamide

5-iodo-N-[(1-methylpiperidin-4-yl)methyl]thiophene-3-carboxamide (PubChem CID 78949608) has the molecular formula C12H17IN2OS and a molecular weight of 364.25 g/mol. Its IUPAC name is 5-iodo-N-[(1-methylpiperidin-4-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-[(1-methylpiperidin-4-yl)methyl]thiophene-3-carboxamide
PubChem CID78949608
Molecular FormulaC12H17IN2OS
Molecular Weight364.25 g/mol
Exact Mass364.01
IUPAC Name5-iodo-N-[(1-methylpiperidin-4-yl)methyl]thiophene-3-carboxamide
SMILESCN1CCC(CNC(=O)c2csc(I)c2)CC1
InChIInChI=1S/C12H17IN2OS/c1-15-4-2-9(3-5-15)7-14-12(16)10-6-11(13)17-8-10/h6,8-9H,2-5,7H2,1H3,(H,14,16)
InChIKeyUTHPNSOXIOHESV-UHFFFAOYSA-N
XLogP2.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[(1-methylpiperidin-4-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-[(1-methylpiperidin-4-yl)methyl]thiophene-3-carboxamide (CID 78949608) is 5-iodo-N-[(1-methylpiperidin-4-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-[(1-methylpiperidin-4-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-[(1-methylpiperidin-4-yl)methyl]thiophene-3-carboxamide is CN1CCC(CNC(=O)c2csc(I)c2)CC1.
What is the InChIKey of 5-iodo-N-[(1-methylpiperidin-4-yl)methyl]thiophene-3-carboxamide?
The InChIKey is UTHPNSOXIOHESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2OS/c1-15-4-2-9(3-5-15)7-14-12(16)10-6-11(13)17-8-10/h6,8-9H,2-5,7H2,1H3,(H,14,16).
What are the key properties of 5-iodo-N-[(1-methylpiperidin-4-yl)methyl]thiophene-3-carboxamide?
5-iodo-N-[(1-methylpiperidin-4-yl)methyl]thiophene-3-carboxamide has a molecular weight of 364.25 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[(1-methylpiperidin-4-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 78949608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).