5-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide

C17H20N2O2S2 — CID 49361294

IUPAC5-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(C(=O)Cc3ccsc3)CC2)s1
InChIInChI=1S/C17H20N2O2S2/c1-12-2-3-15(23-12)17(21)18-14-4-7-19(8-5-14)16(20)10-13-6-9-22-11-13/h2-3,6,9,11,14H,4-5,7-8,10H2,1H3,(H,18,21)
InChIKeyYRQFRBZIKRPLKD-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.08
Rot. Bonds4

About 5-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide

5-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 49361294) has the molecular formula C17H20N2O2S2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 5-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide
PubChem CID49361294
Molecular FormulaC17H20N2O2S2
Molecular Weight348.49 g/mol
Exact Mass348.10
IUPAC Name5-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(C(=O)Cc3ccsc3)CC2)s1
InChIInChI=1S/C17H20N2O2S2/c1-12-2-3-15(23-12)17(21)18-14-4-7-19(8-5-14)16(20)10-13-6-9-22-11-13/h2-3,6,9,11,14H,4-5,7-8,10H2,1H3,(H,18,21)
InChIKeyYRQFRBZIKRPLKD-UHFFFAOYSA-N
XLogP3.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide
CID 49361441
N-[1-(4-aminobutanoyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide;hydrochloride
CID 119309719
N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide;hydrochloride
CID 120590841
N-[1-[4-(4-bromophenyl)-4-oxobutanoyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 60607207
5-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide;hydrochloride
CID 119938169
N-[1-(1,5-dimethylpyrrole-2-carbonyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49414960
5-[4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120685360
N-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49448249
tert-butyl 4-[(2-thiophen-3-ylacetyl)amino]piperidine-1-carboxylate
CID 71629850
1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 121200714
5-methyl-N-[1-(piperidine-3-carbonyl)piperidin-4-yl]thiophene-2-carboxamide;hydrochloride
CID 119309715
1-(azocan-1-yl)-2-thiophen-3-ylethanone
CID 112769654

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide (CID 49361294) is 5-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide is Cc1ccc(C(=O)NC2CCN(C(=O)Cc3ccsc3)CC2)s1.
What is the InChIKey of 5-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is YRQFRBZIKRPLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S2/c1-12-2-3-15(23-12)17(21)18-14-4-7-19(8-5-14)16(20)10-13-6-9-22-11-13/h2-3,6,9,11,14H,4-5,7-8,10H2,1H3,(H,18,21).
What are the key properties of 5-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide?
5-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 49361294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).