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

C20H26N2O2S — CID 125125751

IUPACN-[1-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(C[C@@H](O)c2cccs2)CC1
InChIInChI=1S/C20H26N2O2S/c1-2-20(24)22(16-7-4-3-5-8-16)17-10-12-21(13-11-17)15-18(23)19-9-6-14-25-19/h3-9,14,17-18,23H,2,10-13,15H2,1H3/t18-/m1/s1
InChIKeyGLAAETOTOUGGSB-GOSISDBHSA-N
MW358.51 g/mol
LogP3.69
Rot. Bonds6

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

N-[1-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperidin-4-yl]-N-phenylpropanamide (PubChem CID 125125751) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[1-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperidin-4-yl]-N-phenylpropanamide
PubChem CID125125751
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-[1-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(C[C@@H](O)c2cccs2)CC1
InChIInChI=1S/C20H26N2O2S/c1-2-20(24)22(16-7-4-3-5-8-16)17-10-12-21(13-11-17)15-18(23)19-9-6-14-25-19/h3-9,14,17-18,23H,2,10-13,15H2,1H3/t18-/m1/s1
InChIKeyGLAAETOTOUGGSB-GOSISDBHSA-N
XLogP3.69
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[1-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperidin-4-yl]-N-phenylpropanamide (CID 125125751) is N-[1-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[1-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[1-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1CCN(C[C@@H](O)c2cccs2)CC1.
What is the InChIKey of N-[1-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is GLAAETOTOUGGSB-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-2-20(24)22(16-7-4-3-5-8-16)17-10-12-21(13-11-17)15-18(23)19-9-6-14-25-19/h3-9,14,17-18,23H,2,10-13,15H2,1H3/t18-/m1/s1.
What are the key properties of N-[1-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperidin-4-yl]-N-phenylpropanamide?
N-[1-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 358.51 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 125125751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).