3-amino-N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide

C22H31N3O2S — CID 156786663

IUPAC3-amino-N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCOCC1(N(C(=O)CCN)c2ccccc2)CCN(CCc2cccs2)CC1
InChIInChI=1S/C22H31N3O2S/c1-27-18-22(25(21(26)9-13-23)19-6-3-2-4-7-19)11-15-24(16-12-22)14-10-20-8-5-17-28-20/h2-8,17H,9-16,18,23H2,1H3
InChIKeyXXFHURWMUJDCEF-UHFFFAOYSA-N
MW401.58 g/mol
LogP3.15
Rot. Bonds9

About 3-amino-N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide

3-amino-N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 156786663) has the molecular formula C22H31N3O2S and a molecular weight of 401.58 g/mol. Its IUPAC name is 3-amino-N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID156786663
Molecular FormulaC22H31N3O2S
Molecular Weight401.58 g/mol
Exact Mass401.21
IUPAC Name3-amino-N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCOCC1(N(C(=O)CCN)c2ccccc2)CCN(CCc2cccs2)CC1
InChIInChI=1S/C22H31N3O2S/c1-27-18-22(25(21(26)9-13-23)19-6-3-2-4-7-19)11-15-24(16-12-22)14-10-20-8-5-17-28-20/h2-8,17H,9-16,18,23H2,1H3
InChIKeyXXFHURWMUJDCEF-UHFFFAOYSA-N
XLogP3.15
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.58
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

hexanedioic acid;N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 53340920
N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide;octadecanoic acid
CID 23299017
N-[1-(1-hydroxy-1-thiophen-2-ylpropan-2-yl)-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide
CID 19772576
methyl 3-[4-(methylperoxymethyl)-4-(N-propanoylanilino)piperidin-1-yl]propanoate
CID 89088772
tert-butyl N-[3-(N-[1-benzyl-4-(methoxymethyl)piperidin-4-yl]anilino)-3-oxopropyl]carbamate
CID 167270941
3,3,3-trideuterio-N-[1-(2,2-dideuterio-2-thiophen-2-ylethyl)-4-methoxypiperidin-4-yl]-N-phenylpropanamide
CID 59152834
N-[1-[2-(3,3-dimethyl-2-oxoindol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide
CID 19772611
2-methoxy-N-phenyl-N-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]acetamide
CID 171479446
N-[4-(methoxymethyl)-1-[2-(5-oxo-2-phenylpyrazolidin-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 14879890
N-[3-methoxy-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 67904225
CID 70906736
CID 70906736
N-(2-cyanoethyl)-N-phenyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide
CID 47535207

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of 3-amino-N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide (CID 156786663) is 3-amino-N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for 3-amino-N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide is COCC1(N(C(=O)CCN)c2ccccc2)CCN(CCc2cccs2)CC1.
What is the InChIKey of 3-amino-N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is XXFHURWMUJDCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2S/c1-27-18-22(25(21(26)9-13-23)19-6-3-2-4-7-19)11-15-24(16-12-22)14-10-20-8-5-17-28-20/h2-8,17H,9-16,18,23H2,1H3.
What are the key properties of 3-amino-N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
3-amino-N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 401.58 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 156786663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).