N-ethyl-5-iodo-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide

C13H19IN2OS — CID 79720840

IUPACN-ethyl-5-iodo-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
SMILESCCN(CC1CCNCC1)C(=O)c1csc(I)c1
InChIInChI=1S/C13H19IN2OS/c1-2-16(8-10-3-5-15-6-4-10)13(17)11-7-12(14)18-9-11/h7,9-10,15H,2-6,8H2,1H3
InChIKeyBRCGIIUIOFLGJQ-UHFFFAOYSA-N
MW378.28 g/mol
LogP2.81
Rot. Bonds4

About N-ethyl-5-iodo-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide

N-ethyl-5-iodo-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide (PubChem CID 79720840) has the molecular formula C13H19IN2OS and a molecular weight of 378.28 g/mol. Its IUPAC name is N-ethyl-5-iodo-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-iodo-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
PubChem CID79720840
Molecular FormulaC13H19IN2OS
Molecular Weight378.28 g/mol
Exact Mass378.03
IUPAC NameN-ethyl-5-iodo-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
SMILESCCN(CC1CCNCC1)C(=O)c1csc(I)c1
InChIInChI=1S/C13H19IN2OS/c1-2-16(8-10-3-5-15-6-4-10)13(17)11-7-12(14)18-9-11/h7,9-10,15H,2-6,8H2,1H3
InChIKeyBRCGIIUIOFLGJQ-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

3-chloro-N-ethyl-4-iodo-N-(piperidin-4-ylmethyl)benzamide
CID 103209649
5-iodo-N-methyl-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride
CID 119441879
N-cyclopropyl-N-ethyl-5-iodothiophene-3-carboxamide
CID 78948757
3-N-ethyl-3-N-(piperidin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 79697262
5-nitro-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-carboxamide
CID 79701574
4-iodo-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79721151
N-ethyl-4-methoxy-N-(piperidin-4-ylmethyl)benzamide
CID 79721421
N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 79700663
4-ethoxy-N-ethyl-N-(piperidin-4-ylmethyl)benzamide
CID 79698338
5-iodo-N-(piperidin-2-ylmethyl)-N-propylthiophene-3-carboxamide
CID 106625541
5-iodo-N,N-dipropylthiophene-3-carboxamide
CID 78948915
N-(cyanomethyl)-N-ethyl-5-iodothiophene-3-carboxamide
CID 78948475

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-iodo-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of N-ethyl-5-iodo-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide (CID 79720840) is N-ethyl-5-iodo-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-ethyl-5-iodo-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for N-ethyl-5-iodo-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide is CCN(CC1CCNCC1)C(=O)c1csc(I)c1.
What is the InChIKey of N-ethyl-5-iodo-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide?
The InChIKey is BRCGIIUIOFLGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN2OS/c1-2-16(8-10-3-5-15-6-4-10)13(17)11-7-12(14)18-9-11/h7,9-10,15H,2-6,8H2,1H3.
What are the key properties of N-ethyl-5-iodo-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide?
N-ethyl-5-iodo-N-(piperidin-4-ylmethyl)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 N-ethyl-5-iodo-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 79720840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).