N-(1-ethylpiperidin-3-yl)-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide

C16H22N2O2S — CID 79977769

IUPACN-(1-ethylpiperidin-3-yl)-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide
SMILESCCN1CCCC(NC(=O)c2cc(C)c(C#CCO)s2)C1
InChIInChI=1S/C16H22N2O2S/c1-3-18-8-4-6-13(11-18)17-16(20)15-10-12(2)14(21-15)7-5-9-19/h10,13,19H,3-4,6,8-9,11H2,1-2H3,(H,17,20)
InChIKeyFFALOAIFFSZMIH-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.61
Rot. Bonds3

About N-(1-ethylpiperidin-3-yl)-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide

N-(1-ethylpiperidin-3-yl)-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide (PubChem CID 79977769) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-(1-ethylpiperidin-3-yl)-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-3-yl)-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide
PubChem CID79977769
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-(1-ethylpiperidin-3-yl)-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide
SMILESCCN1CCCC(NC(=O)c2cc(C)c(C#CCO)s2)C1
InChIInChI=1S/C16H22N2O2S/c1-3-18-8-4-6-13(11-18)17-16(20)15-10-12(2)14(21-15)7-5-9-19/h10,13,19H,3-4,6,8-9,11H2,1-2H3,(H,17,20)
InChIKeyFFALOAIFFSZMIH-UHFFFAOYSA-N
XLogP1.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-cyclopentyl-4-methylthiophene-2-carboxamide
CID 79989786
5-(3-aminoprop-1-ynyl)-N-cyclohexyl-4-methylthiophene-2-carboxamide
CID 79990031
5-(3-hydroxyprop-1-ynyl)-4-methyl-N-propylthiophene-2-carboxamide
CID 79982122
5-(4-hydroxybut-1-ynyl)-4-methyl-N-(oxan-3-yl)thiophene-2-carboxamide
CID 79990009
[5-(3-hydroxyprop-1-ynyl)-4-methylthiophen-2-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 79989780
1-[5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carbonyl]pyrrolidine-2-carboxamide
CID 79982227
[3-(2-hydroxyethyl)piperidin-1-yl]-[5-(3-hydroxyprop-1-ynyl)-4-methylthiophen-2-yl]methanone
CID 107228516
5-(3-hydroxyprop-1-ynyl)-4-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 79981758
5-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)-4-methylthiophene-2-carboxamide
CID 79990036
5-(3-hydroxyprop-1-ynyl)-4-methyl-N-[(4-methylcyclohexyl)methyl]thiophene-2-carboxamide
CID 79977534
N-[(3S)-1-ethylpiperidin-3-yl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 124752653
5-(3-hydroxyprop-1-ynyl)-4-methyl-N-[(1-methylcyclopentyl)methyl]thiophene-2-carboxamide
CID 79990358

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-3-yl)-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(1-ethylpiperidin-3-yl)-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide (CID 79977769) is N-(1-ethylpiperidin-3-yl)-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-ethylpiperidin-3-yl)-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(1-ethylpiperidin-3-yl)-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide is CCN1CCCC(NC(=O)c2cc(C)c(C#CCO)s2)C1.
What is the InChIKey of N-(1-ethylpiperidin-3-yl)-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide?
The InChIKey is FFALOAIFFSZMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-3-18-8-4-6-13(11-18)17-16(20)15-10-12(2)14(21-15)7-5-9-19/h10,13,19H,3-4,6,8-9,11H2,1-2H3,(H,17,20).
What are the key properties of N-(1-ethylpiperidin-3-yl)-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide?
N-(1-ethylpiperidin-3-yl)-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide has a molecular weight of 306.43 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-3-yl)-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79977769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).