3-phenoxy-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide

C20H24N2O3S — CID 108554925

IUPAC3-phenoxy-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide
SMILESO=C(CCOc1ccccc1)NC1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C20H24N2O3S/c23-19(10-13-25-17-5-2-1-3-6-17)21-16-8-11-22(12-9-16)20(24)15-18-7-4-14-26-18/h1-7,14,16H,8-13,15H2,(H,21,23)
InChIKeyXWERIDILLSEWSJ-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.87
Rot. Bonds7

About 3-phenoxy-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide

3-phenoxy-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide (PubChem CID 108554925) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 3-phenoxy-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-phenoxy-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide
PubChem CID108554925
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name3-phenoxy-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide
SMILESO=C(CCOc1ccccc1)NC1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C20H24N2O3S/c23-19(10-13-25-17-5-2-1-3-6-17)21-16-8-11-22(12-9-16)20(24)15-18-7-4-14-26-18/h1-7,14,16H,8-13,15H2,(H,21,23)
InChIKeyXWERIDILLSEWSJ-UHFFFAOYSA-N
XLogP2.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamate
CID 110820702
2-(4-ethoxyphenyl)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108553940
2-(4-chlorophenoxy)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108554335
ethyl 4-oxo-4-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]amino]butanoate
CID 108565657
N-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554268
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 110820896
2-phenoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108555833
1-cyclohexyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea
CID 110820715
1-phenyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea
CID 86834875
2-cyano-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108548385
2-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 113083187
N-[1-(4-phenoxybutanoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551285

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-phenoxy-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide (CID 108554925) is 3-phenoxy-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-phenoxy-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-phenoxy-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide is O=C(CCOc1ccccc1)NC1CCN(C(=O)Cc2cccs2)CC1.
What is the InChIKey of 3-phenoxy-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide?
The InChIKey is XWERIDILLSEWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c23-19(10-13-25-17-5-2-1-3-6-17)21-16-8-11-22(12-9-16)20(24)15-18-7-4-14-26-18/h1-7,14,16H,8-13,15H2,(H,21,23).
What are the key properties of 3-phenoxy-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide?
3-phenoxy-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide has a molecular weight of 372.49 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 108554925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).