[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate

C23H28N2O4S — CID 4310744

IUPAC[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate
SMILESCC1CCCC(C)N1C(=O)COC(=O)C(Cc1ccccc1)NC(=O)c1cccs1
InChIInChI=1S/C23H28N2O4S/c1-16-8-6-9-17(2)25(16)21(26)15-29-23(28)19(14-18-10-4-3-5-11-18)24-22(27)20-12-7-13-30-20/h3-5,7,10-13,16-17,19H,6,8-9,14-15H2,1-2H3,(H,24,27)
InChIKeyFAZJCISVJRFNEM-UHFFFAOYSA-N
MW428.55 g/mol
LogP3.42
Rot. Bonds7

About [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate

[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate (PubChem CID 4310744) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate
PubChem CID4310744
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate
SMILESCC1CCCC(C)N1C(=O)COC(=O)C(Cc1ccccc1)NC(=O)c1cccs1
InChIInChI=1S/C23H28N2O4S/c1-16-8-6-9-17(2)25(16)21(26)15-29-23(28)19(14-18-10-4-3-5-11-18)24-22(27)20-12-7-13-30-20/h3-5,7,10-13,16-17,19H,6,8-9,14-15H2,1-2H3,(H,24,27)
InChIKeyFAZJCISVJRFNEM-UHFFFAOYSA-N
XLogP3.42
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate?
The IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate (CID 4310744) is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate.
What is the SMILES notation for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate?
The canonical SMILES for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate is CC1CCCC(C)N1C(=O)COC(=O)C(Cc1ccccc1)NC(=O)c1cccs1.
What is the InChIKey of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate?
The InChIKey is FAZJCISVJRFNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-16-8-6-9-17(2)25(16)21(26)15-29-23(28)19(14-18-10-4-3-5-11-18)24-22(27)20-12-7-13-30-20/h3-5,7,10-13,16-17,19H,6,8-9,14-15H2,1-2H3,(H,24,27).
What are the key properties of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate?
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate has a molecular weight of 428.55 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate is sourced from PubChem (CID 4310744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).