N-(1,2-dimethylpiperidin-4-yl)-5-iodothiophene-3-carboxamide

C12H17IN2OS — CID 79005771

IUPACN-(1,2-dimethylpiperidin-4-yl)-5-iodothiophene-3-carboxamide
SMILESCC1CC(NC(=O)c2csc(I)c2)CCN1C
InChIInChI=1S/C12H17IN2OS/c1-8-5-10(3-4-15(8)2)14-12(16)9-6-11(13)17-7-9/h6-8,10H,3-5H2,1-2H3,(H,14,16)
InChIKeyWTAPONFBMLOSIA-UHFFFAOYSA-N
MW364.25 g/mol
LogP2.57
Rot. Bonds2

About N-(1,2-dimethylpiperidin-4-yl)-5-iodothiophene-3-carboxamide

N-(1,2-dimethylpiperidin-4-yl)-5-iodothiophene-3-carboxamide (PubChem CID 79005771) has the molecular formula C12H17IN2OS and a molecular weight of 364.25 g/mol. Its IUPAC name is N-(1,2-dimethylpiperidin-4-yl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1,2-dimethylpiperidin-4-yl)-5-iodothiophene-3-carboxamide
PubChem CID79005771
Molecular FormulaC12H17IN2OS
Molecular Weight364.25 g/mol
Exact Mass364.01
IUPAC NameN-(1,2-dimethylpiperidin-4-yl)-5-iodothiophene-3-carboxamide
SMILESCC1CC(NC(=O)c2csc(I)c2)CCN1C
InChIInChI=1S/C12H17IN2OS/c1-8-5-10(3-4-15(8)2)14-12(16)9-6-11(13)17-7-9/h6-8,10H,3-5H2,1-2H3,(H,14,16)
InChIKeyWTAPONFBMLOSIA-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 52.57
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-[(5-iodothiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 79685648
3,5-dibromo-N-(1,2-dimethylpiperidin-4-yl)benzamide
CID 103908813
2,6-dichloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-4-carboxamide
CID 79005722
5-iodo-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide
CID 78950028
N-(3-aminocyclobutyl)-5-iodothiophene-3-carboxamide
CID 79693813
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-iodothiophene-3-carboxamide;hydrochloride
CID 119456063
N-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]acetamide
CID 113233340
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-5-iodothiophene-3-carboxamide
CID 79693120
N-(3,3-dimethylcyclopentyl)-5-iodothiophene-3-carboxamide
CID 115880826
N-(2,3-dihydro-1H-inden-2-yl)-5-iodothiophene-3-carboxamide
CID 104693627
N-[1-(5-iodothiophene-3-carbonyl)piperidin-3-yl]acetamide
CID 78948823
5-iodo-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-carboxamide
CID 115618153

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dimethylpiperidin-4-yl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(1,2-dimethylpiperidin-4-yl)-5-iodothiophene-3-carboxamide (CID 79005771) is N-(1,2-dimethylpiperidin-4-yl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(1,2-dimethylpiperidin-4-yl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(1,2-dimethylpiperidin-4-yl)-5-iodothiophene-3-carboxamide is CC1CC(NC(=O)c2csc(I)c2)CCN1C.
What is the InChIKey of N-(1,2-dimethylpiperidin-4-yl)-5-iodothiophene-3-carboxamide?
The InChIKey is WTAPONFBMLOSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2OS/c1-8-5-10(3-4-15(8)2)14-12(16)9-6-11(13)17-7-9/h6-8,10H,3-5H2,1-2H3,(H,14,16).
What are the key properties of N-(1,2-dimethylpiperidin-4-yl)-5-iodothiophene-3-carboxamide?
N-(1,2-dimethylpiperidin-4-yl)-5-iodothiophene-3-carboxamide has a molecular weight of 364.25 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethylpiperidin-4-yl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 79005771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).