[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-(4-methoxyphenyl)acetate

C22H25NO6S — CID 25163176

IUPAC[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C22H25NO6S/c1-28-19-9-5-17(6-10-19)15-22(25)29-16-21(24)18-7-11-20(12-8-18)30(26,27)23-13-3-2-4-14-23/h5-12H,2-4,13-16H2,1H3
InChIKeyKVAWNSWWGLRXPD-UHFFFAOYSA-N
MW431.51 g/mol
LogP2.84
Rot. Bonds8

About [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-(4-methoxyphenyl)acetate

[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-(4-methoxyphenyl)acetate (PubChem CID 25163176) has the molecular formula C22H25NO6S and a molecular weight of 431.51 g/mol. Its IUPAC name is [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-(4-methoxyphenyl)acetate
PubChem CID25163176
Molecular FormulaC22H25NO6S
Molecular Weight431.51 g/mol
Exact Mass431.14
IUPAC Name[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C22H25NO6S/c1-28-19-9-5-17(6-10-19)15-22(25)29-16-21(24)18-7-11-20(12-8-18)30(26,27)23-13-3-2-4-14-23/h5-12H,2-4,13-16H2,1H3
InChIKeyKVAWNSWWGLRXPD-UHFFFAOYSA-N
XLogP2.84
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-(4-methoxyphenyl)acetate?
The IUPAC name of [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-(4-methoxyphenyl)acetate (CID 25163176) is [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-(4-methoxyphenyl)acetate?
The InChIKey is KVAWNSWWGLRXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO6S/c1-28-19-9-5-17(6-10-19)15-22(25)29-16-21(24)18-7-11-20(12-8-18)30(26,27)23-13-3-2-4-14-23/h5-12H,2-4,13-16H2,1H3.
What are the key properties of [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-(4-methoxyphenyl)acetate?
[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-(4-methoxyphenyl)acetate has a molecular weight of 431.51 g/mol, XLogP of 2.84, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 25163176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).