5-iodo-N-methyl-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride

C11H16ClIN2OS — CID 119441879

IUPAC5-iodo-N-methyl-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride
SMILESCN(C(=O)c1csc(I)c1)C1CCNCC1.Cl
InChIInChI=1S/C11H15IN2OS.ClH/c1-14(9-2-4-13-5-3-9)11(15)8-6-10(12)16-7-8;/h6-7,9,13H,2-5H2,1H3;1H
InChIKeyZQLWAIDLEJIRQH-UHFFFAOYSA-N
MW386.69 g/mol
LogP2.60
Rot. Bonds2

About 5-iodo-N-methyl-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride

5-iodo-N-methyl-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride (PubChem CID 119441879) has the molecular formula C11H16ClIN2OS and a molecular weight of 386.69 g/mol. Its IUPAC name is 5-iodo-N-methyl-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-iodo-N-methyl-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride
PubChem CID119441879
Molecular FormulaC11H16ClIN2OS
Molecular Weight386.69 g/mol
Exact Mass385.97
IUPAC Name5-iodo-N-methyl-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride
SMILESCN(C(=O)c1csc(I)c1)C1CCNCC1.Cl
InChIInChI=1S/C11H15IN2OS.ClH/c1-14(9-2-4-13-5-3-9)11(15)8-6-10(12)16-7-8;/h6-7,9,13H,2-5H2,1H3;1H
InChIKeyZQLWAIDLEJIRQH-UHFFFAOYSA-N
XLogP2.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.69
LogP ≤ 52.60
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

N-methyl-5-nitro-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride
CID 119443414
N-ethyl-5-iodo-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
CID 79720840
N,3,5-trimethyl-N-piperidin-4-ylbenzamide
CID 43602069
3,5-dibromo-N-methyl-N-piperidin-4-ylbenzamide
CID 114022754
N-cyclopropyl-N-ethyl-5-iodothiophene-3-carboxamide
CID 78948757
N-methyl-N-piperidin-4-yl-3,5-bis(trifluoromethyl)benzamide
CID 119442576
4-methoxy-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 81122595
4-isocyano-N-methyl-N-piperidin-4-ylbenzamide
CID 140732667
N-cyclopentyl-N-ethyl-5-iodothiophene-3-carboxamide
CID 78948393
4-(1,3-dithiolan-2-yl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119442633
N-(azepan-4-yl)-3-chloro-4-iodo-N-methylbenzamide
CID 104974458
2,4-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443342

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-methyl-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride?
The IUPAC name of 5-iodo-N-methyl-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride (CID 119441879) is 5-iodo-N-methyl-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-iodo-N-methyl-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride?
The canonical SMILES for 5-iodo-N-methyl-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride is CN(C(=O)c1csc(I)c1)C1CCNCC1.Cl.
What is the InChIKey of 5-iodo-N-methyl-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride?
The InChIKey is ZQLWAIDLEJIRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2OS.ClH/c1-14(9-2-4-13-5-3-9)11(15)8-6-10(12)16-7-8;/h6-7,9,13H,2-5H2,1H3;1H.
What are the key properties of 5-iodo-N-methyl-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride?
5-iodo-N-methyl-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride has a molecular weight of 386.69 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-methyl-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119441879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).