3-methyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide

C19H22N2O2S — CID 110820695

IUPAC3-methyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide
SMILESCc1cccc(C(=O)NC2CCN(C(=O)Cc3cccs3)CC2)c1
InChIInChI=1S/C19H22N2O2S/c1-14-4-2-5-15(12-14)19(23)20-16-7-9-21(10-8-16)18(22)13-17-6-3-11-24-17/h2-6,11-12,16H,7-10,13H2,1H3,(H,20,23)
InChIKeyMYNYKWQVGYXHTN-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.02
Rot. Bonds4

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

3-methyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide (PubChem CID 110820695) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 3-methyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide
PubChem CID110820695
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name3-methyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide
SMILESCc1cccc(C(=O)NC2CCN(C(=O)Cc3cccs3)CC2)c1
InChIInChI=1S/C19H22N2O2S/c1-14-4-2-5-15(12-14)19(23)20-16-7-9-21(10-8-16)18(22)13-17-6-3-11-24-17/h2-6,11-12,16H,7-10,13H2,1H3,(H,20,23)
InChIKeyMYNYKWQVGYXHTN-UHFFFAOYSA-N
XLogP3.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide
CID 49361441
methyl 4-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-4-oxobutanoate
CID 110819811
3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819611
2-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 113083187
4-(4-methylphenyl)-4-oxo-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]butanamide
CID 108552059
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-3-methylbenzamide
CID 108555406
1-cyclohexyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea
CID 110820715
2-cyano-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108548385
N-[1-(4-oxopentanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554283
2-chloro-6-fluoro-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide
CID 108558668
N-[(3-methylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113004008
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbenzamide
CID 110819857

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide?
The IUPAC name of 3-methyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide (CID 110820695) is 3-methyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-methyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide is Cc1cccc(C(=O)NC2CCN(C(=O)Cc3cccs3)CC2)c1.
What is the InChIKey of 3-methyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide?
The InChIKey is MYNYKWQVGYXHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-14-4-2-5-15(12-14)19(23)20-16-7-9-21(10-8-16)18(22)13-17-6-3-11-24-17/h2-6,11-12,16H,7-10,13H2,1H3,(H,20,23).
What are the key properties of 3-methyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide?
3-methyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide has a molecular weight of 342.46 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 110820695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).