5-iodo-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-carboxamide

C13H19IN2OS — CID 115618153

IUPAC5-iodo-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-carboxamide
SMILESCN1CCC(CCNC(=O)c2csc(I)c2)CC1
InChIInChI=1S/C13H19IN2OS/c1-16-6-3-10(4-7-16)2-5-15-13(17)11-8-12(14)18-9-11/h8-10H,2-7H2,1H3,(H,15,17)
InChIKeyOKFAIFGELWXNNB-UHFFFAOYSA-N
MW378.28 g/mol
LogP2.81
Rot. Bonds4

About 5-iodo-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-carboxamide

5-iodo-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-carboxamide (PubChem CID 115618153) has the molecular formula C13H19IN2OS and a molecular weight of 378.28 g/mol. Its IUPAC name is 5-iodo-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-carboxamide
PubChem CID115618153
Molecular FormulaC13H19IN2OS
Molecular Weight378.28 g/mol
Exact Mass378.03
IUPAC Name5-iodo-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-carboxamide
SMILESCN1CCC(CCNC(=O)c2csc(I)c2)CC1
InChIInChI=1S/C13H19IN2OS/c1-16-6-3-10(4-7-16)2-5-15-13(17)11-8-12(14)18-9-11/h8-10H,2-7H2,1H3,(H,15,17)
InChIKeyOKFAIFGELWXNNB-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
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

5-iodo-N-[(1-methylpiperidin-4-yl)methyl]thiophene-3-carboxamide
CID 78949608
3,4,5-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 115610737
N-[2-(cyclopropanecarbonylamino)ethyl]-5-iodothiophene-3-carboxamide
CID 115618086
3-amino-4,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114514817
4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide;dihydrochloride
CID 119865905
3,4,5-trimethoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99702429
N-(cyclopentylmethyl)-5-iodothiophene-3-carboxamide
CID 78948345
3-methyl-4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114516650
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-iodothiophene-3-carboxamide
CID 78950614
2-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide
CID 115601906
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99971355
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylacetamide
CID 50875243

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-carboxamide (CID 115618153) is 5-iodo-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-carboxamide is CN1CCC(CCNC(=O)c2csc(I)c2)CC1.
What is the InChIKey of 5-iodo-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-carboxamide?
The InChIKey is OKFAIFGELWXNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN2OS/c1-16-6-3-10(4-7-16)2-5-15-13(17)11-8-12(14)18-9-11/h8-10H,2-7H2,1H3,(H,15,17).
What are the key properties of 5-iodo-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-carboxamide?
5-iodo-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-carboxamide has a molecular weight of 378.28 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 115618153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).