N-(1-ethylpiperidin-4-yl)-3-methylthiophene-2-carboxamide

C13H20N2OS — CID 30768194

IUPACN-(1-ethylpiperidin-4-yl)-3-methylthiophene-2-carboxamide
SMILESCCN1CCC(NC(=O)c2sccc2C)CC1
InChIInChI=1S/C13H20N2OS/c1-3-15-7-4-11(5-8-15)14-13(16)12-10(2)6-9-17-12/h6,9,11H,3-5,7-8H2,1-2H3,(H,14,16)
InChIKeyZLDQTKGPZJALFO-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.27
Rot. Bonds3

About N-(1-ethylpiperidin-4-yl)-3-methylthiophene-2-carboxamide

N-(1-ethylpiperidin-4-yl)-3-methylthiophene-2-carboxamide (PubChem CID 30768194) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-3-methylthiophene-2-carboxamide
PubChem CID30768194
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-(1-ethylpiperidin-4-yl)-3-methylthiophene-2-carboxamide
SMILESCCN1CCC(NC(=O)c2sccc2C)CC1
InChIInChI=1S/C13H20N2OS/c1-3-15-7-4-11(5-8-15)14-13(16)12-10(2)6-9-17-12/h6,9,11H,3-5,7-8H2,1-2H3,(H,14,16)
InChIKeyZLDQTKGPZJALFO-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 47114392
N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 17249701
trans-(1S,3S)-3-[(3-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318295
4-amino-N-(1-ethylpiperidin-4-yl)-3-methylbenzamide
CID 54915908
N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylthiophene-2-carboxamide
CID 30789391
N-(3,3-dimethylcyclopentyl)-3-methylthiophene-2-carboxamide
CID 115880667
3-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]thiophene-2-carboxamide
CID 140519163
N-(1-ethylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249927
3-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-2-carboxamide
CID 91631465
4-ethyl-N-(1-ethylpiperidin-4-yl)thiadiazole-5-carboxamide
CID 30768347
(1-ethylpiperidin-4-yl)carbamic acid;hydrochloride
CID 68989076
3-methyl-N-[1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]thiophene-2-carboxamide
CID 53171402

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-3-methylthiophene-2-carboxamide (CID 30768194) is N-(1-ethylpiperidin-4-yl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-3-methylthiophene-2-carboxamide is CCN1CCC(NC(=O)c2sccc2C)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-3-methylthiophene-2-carboxamide?
The InChIKey is ZLDQTKGPZJALFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-3-15-7-4-11(5-8-15)14-13(16)12-10(2)6-9-17-12/h6,9,11H,3-5,7-8H2,1-2H3,(H,14,16).
What are the key properties of N-(1-ethylpiperidin-4-yl)-3-methylthiophene-2-carboxamide?
N-(1-ethylpiperidin-4-yl)-3-methylthiophene-2-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 30768194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).