2-[3-(ethoxymethyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide

C17H28N2O2S — CID 56790234

IUPAC2-[3-(ethoxymethyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
SMILESCCOCC1CCCN(C(C)C(=O)NCCc2cccs2)C1
InChIInChI=1S/C17H28N2O2S/c1-3-21-13-15-6-4-10-19(12-15)14(2)17(20)18-9-8-16-7-5-11-22-16/h5,7,11,14-15H,3-4,6,8-10,12-13H2,1-2H3,(H,18,20)
InChIKeyDAOSKGOFMABGLY-UHFFFAOYSA-N
MW324.49 g/mol
LogP2.54
Rot. Bonds8

About 2-[3-(ethoxymethyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide

2-[3-(ethoxymethyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 56790234) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is 2-[3-(ethoxymethyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name2-[3-(ethoxymethyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID56790234
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC Name2-[3-(ethoxymethyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
SMILESCCOCC1CCCN(C(C)C(=O)NCCc2cccs2)C1
InChIInChI=1S/C17H28N2O2S/c1-3-21-13-15-6-4-10-19(12-15)14(2)17(20)18-9-8-16-7-5-11-22-16/h5,7,11,14-15H,3-4,6,8-10,12-13H2,1-2H3,(H,18,20)
InChIKeyDAOSKGOFMABGLY-UHFFFAOYSA-N
XLogP2.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 75858737
1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110418083
ethyl (3S)-1-[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]piperidine-3-carboxylate
CID 98490889
2-(3,5-dimethylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 75858751
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 111543644
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 120774618
1-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134654
1-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134656
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9033638
(2S)-2-(4-benzoylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9043467
(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 40819018
(2R)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9037388

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethoxymethyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of 2-[3-(ethoxymethyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide (CID 56790234) is 2-[3-(ethoxymethyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 2-[3-(ethoxymethyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 2-[3-(ethoxymethyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide is CCOCC1CCCN(C(C)C(=O)NCCc2cccs2)C1.
What is the InChIKey of 2-[3-(ethoxymethyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is DAOSKGOFMABGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-3-21-13-15-6-4-10-19(12-15)14(2)17(20)18-9-8-16-7-5-11-22-16/h5,7,11,14-15H,3-4,6,8-10,12-13H2,1-2H3,(H,18,20).
What are the key properties of 2-[3-(ethoxymethyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide?
2-[3-(ethoxymethyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 324.49 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethoxymethyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 56790234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).