(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate

C24H28N2O5S — CID 24519816

IUPAC(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate
SMILESO=C(CCC(=O)c1cccs1)NCCC(=O)OC(C(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C24H28N2O5S/c27-19(20-10-7-17-32-20)11-12-21(28)25-14-13-22(29)31-23(18-8-3-1-4-9-18)24(30)26-15-5-2-6-16-26/h1,3-4,7-10,17,23H,2,5-6,11-16H2,(H,25,28)
InChIKeyHLDJXDJDEITJKJ-UHFFFAOYSA-N
MW456.56 g/mol
LogP3.51
Rot. Bonds10

About (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate

(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate (PubChem CID 24519816) has the molecular formula C24H28N2O5S and a molecular weight of 456.56 g/mol. Its IUPAC name is (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate.

Molecular Properties

Compound Name(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate
PubChem CID24519816
Molecular FormulaC24H28N2O5S
Molecular Weight456.56 g/mol
Exact Mass456.17
IUPAC Name(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate
SMILESO=C(CCC(=O)c1cccs1)NCCC(=O)OC(C(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C24H28N2O5S/c27-19(20-10-7-17-32-20)11-12-21(28)25-14-13-22(29)31-23(18-8-3-1-4-9-18)24(30)26-15-5-2-6-16-26/h1,3-4,7-10,17,23H,2,5-6,11-16H2,(H,25,28)
InChIKeyHLDJXDJDEITJKJ-UHFFFAOYSA-N
XLogP3.51
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.56
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate?
The IUPAC name of (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate (CID 24519816) is (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate.
What is the SMILES notation for (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate?
The canonical SMILES for (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate is O=C(CCC(=O)c1cccs1)NCCC(=O)OC(C(=O)N1CCCCC1)c1ccccc1.
What is the InChIKey of (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate?
The InChIKey is HLDJXDJDEITJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5S/c27-19(20-10-7-17-32-20)11-12-21(28)25-14-13-22(29)31-23(18-8-3-1-4-9-18)24(30)26-15-5-2-6-16-26/h1,3-4,7-10,17,23H,2,5-6,11-16H2,(H,25,28).
What are the key properties of (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate?
(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate has a molecular weight of 456.56 g/mol, XLogP of 3.51, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate is sourced from PubChem (CID 24519816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).