N-[3-hydroxy-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide

C21H28N2O2S — CID 67904685

IUPACN-[3-hydroxy-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCc2cccs2)CC1(C)O
InChIInChI=1S/C21H28N2O2S/c1-3-20(24)23(17-8-5-4-6-9-17)19-12-14-22(16-21(19,2)25)13-11-18-10-7-15-26-18/h4-10,15,19,25H,3,11-14,16H2,1-2H3
InChIKeyKNMYFQJOWRNAMB-UHFFFAOYSA-N
MW372.53 g/mol
LogP3.56
Rot. Bonds6

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

N-[3-hydroxy-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 67904685) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is N-[3-hydroxy-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[3-hydroxy-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID67904685
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC NameN-[3-hydroxy-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCc2cccs2)CC1(C)O
InChIInChI=1S/C21H28N2O2S/c1-3-20(24)23(17-8-5-4-6-9-17)19-12-14-22(16-21(19,2)25)13-11-18-10-7-15-26-18/h4-10,15,19,25H,3,11-14,16H2,1-2H3
InChIKeyKNMYFQJOWRNAMB-UHFFFAOYSA-N
XLogP3.56
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-methoxy-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 67904225
N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-phenylpropanamide;N-methyl-3-thiophen-2-ylpropan-1-amine
CID 153332308
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
hexanedioic acid;N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 53340920
N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide
CID 118877843
2-[[(3S)-3-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]amino]acetic acid
CID 129324249
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide
CID 126650510
N-[3-methyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-yl]-N-phenylpropanamide
CID 53316367
N-(1-butylpiperidin-4-yl)-N-phenylpropanamide
CID 91753688
N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide;octadecanoic acid
CID 23299017
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate
CID 53341505

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[3-hydroxy-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide (CID 67904685) is N-[3-hydroxy-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[3-hydroxy-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[3-hydroxy-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1CCN(CCc2cccs2)CC1(C)O.
What is the InChIKey of N-[3-hydroxy-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is KNMYFQJOWRNAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-3-20(24)23(17-8-5-4-6-9-17)19-12-14-22(16-21(19,2)25)13-11-18-10-7-15-26-18/h4-10,15,19,25H,3,11-14,16H2,1-2H3.
What are the key properties of N-[3-hydroxy-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
N-[3-hydroxy-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 372.53 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 67904685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).