5-iodo-N-(1-piperidin-1-ylpropan-2-yl)thiophene-3-carboxamide

C13H19IN2OS — CID 78950186

IUPAC5-iodo-N-(1-piperidin-1-ylpropan-2-yl)thiophene-3-carboxamide
SMILESCC(CN1CCCCC1)NC(=O)c1csc(I)c1
InChIInChI=1S/C13H19IN2OS/c1-10(8-16-5-3-2-4-6-16)15-13(17)11-7-12(14)18-9-11/h7,9-10H,2-6,8H2,1H3,(H,15,17)
InChIKeyRYZQOFPUVNTKNC-UHFFFAOYSA-N
MW378.28 g/mol
LogP2.96
Rot. Bonds4

About 5-iodo-N-(1-piperidin-1-ylpropan-2-yl)thiophene-3-carboxamide

5-iodo-N-(1-piperidin-1-ylpropan-2-yl)thiophene-3-carboxamide (PubChem CID 78950186) has the molecular formula C13H19IN2OS and a molecular weight of 378.28 g/mol. Its IUPAC name is 5-iodo-N-(1-piperidin-1-ylpropan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-(1-piperidin-1-ylpropan-2-yl)thiophene-3-carboxamide
PubChem CID78950186
Molecular FormulaC13H19IN2OS
Molecular Weight378.28 g/mol
Exact Mass378.03
IUPAC Name5-iodo-N-(1-piperidin-1-ylpropan-2-yl)thiophene-3-carboxamide
SMILESCC(CN1CCCCC1)NC(=O)c1csc(I)c1
InChIInChI=1S/C13H19IN2OS/c1-10(8-16-5-3-2-4-6-16)15-13(17)11-7-12(14)18-9-11/h7,9-10H,2-6,8H2,1H3,(H,15,17)
InChIKeyRYZQOFPUVNTKNC-UHFFFAOYSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 54937836
3,5-dihydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 107703759
N-(1-piperidin-1-ylpropan-2-yl)-3-sulfanylbenzamide
CID 107025389
5-iodo-N-(4-methoxybutan-2-yl)thiophene-3-carboxamide
CID 78948996
3-amino-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride
CID 119851488
5-iodo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide
CID 104854913
5-iodo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide
CID 79692763
5-iodo-N-(1-phenylpropan-2-yl)thiophene-3-carboxamide
CID 79692781
N-(4-ethylsulfanylbutan-2-yl)-5-iodothiophene-3-carboxamide
CID 115662170
4-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 63213435
5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)thiophene-3-carboxamide
CID 54907003
N-(1-piperidin-1-ylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide
CID 112841502

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(1-piperidin-1-ylpropan-2-yl)thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-(1-piperidin-1-ylpropan-2-yl)thiophene-3-carboxamide (CID 78950186) is 5-iodo-N-(1-piperidin-1-ylpropan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-(1-piperidin-1-ylpropan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-(1-piperidin-1-ylpropan-2-yl)thiophene-3-carboxamide is CC(CN1CCCCC1)NC(=O)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-(1-piperidin-1-ylpropan-2-yl)thiophene-3-carboxamide?
The InChIKey is RYZQOFPUVNTKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN2OS/c1-10(8-16-5-3-2-4-6-16)15-13(17)11-7-12(14)18-9-11/h7,9-10H,2-6,8H2,1H3,(H,15,17).
What are the key properties of 5-iodo-N-(1-piperidin-1-ylpropan-2-yl)thiophene-3-carboxamide?
5-iodo-N-(1-piperidin-1-ylpropan-2-yl)thiophene-3-carboxamide has a molecular weight of 378.28 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(1-piperidin-1-ylpropan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 78950186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).