(2-oxo-2-piperidin-1-ylethyl) 2-(2,4-dichlorophenyl)acetate

C15H17Cl2NO3 — CID 2358398

IUPAC(2-oxo-2-piperidin-1-ylethyl) 2-(2,4-dichlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)cc1Cl)OCC(=O)N1CCCCC1
InChIInChI=1S/C15H17Cl2NO3/c16-12-5-4-11(13(17)9-12)8-15(20)21-10-14(19)18-6-2-1-3-7-18/h4-5,9H,1-3,6-8,10H2
InChIKeyGDJPOYOBTYWZNH-UHFFFAOYSA-N
MW330.21 g/mol
LogP3.09
Rot. Bonds4

About (2-oxo-2-piperidin-1-ylethyl) 2-(2,4-dichlorophenyl)acetate

(2-oxo-2-piperidin-1-ylethyl) 2-(2,4-dichlorophenyl)acetate (PubChem CID 2358398) has the molecular formula C15H17Cl2NO3 and a molecular weight of 330.21 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 2-(2,4-dichlorophenyl)acetate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 2-(2,4-dichlorophenyl)acetate
PubChem CID2358398
Molecular FormulaC15H17Cl2NO3
Molecular Weight330.21 g/mol
Exact Mass329.06
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 2-(2,4-dichlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)cc1Cl)OCC(=O)N1CCCCC1
InChIInChI=1S/C15H17Cl2NO3/c16-12-5-4-11(13(17)9-12)8-15(20)21-10-14(19)18-6-2-1-3-7-18/h4-5,9H,1-3,6-8,10H2
InChIKeyGDJPOYOBTYWZNH-UHFFFAOYSA-N
XLogP3.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-(2,4-dichlorophenyl)acetate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-(2,4-dichlorophenyl)acetate (CID 2358398) is (2-oxo-2-piperidin-1-ylethyl) 2-(2,4-dichlorophenyl)acetate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 2-(2,4-dichlorophenyl)acetate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 2-(2,4-dichlorophenyl)acetate is O=C(Cc1ccc(Cl)cc1Cl)OCC(=O)N1CCCCC1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 2-(2,4-dichlorophenyl)acetate?
The InChIKey is GDJPOYOBTYWZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO3/c16-12-5-4-11(13(17)9-12)8-15(20)21-10-14(19)18-6-2-1-3-7-18/h4-5,9H,1-3,6-8,10H2.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 2-(2,4-dichlorophenyl)acetate?
(2-oxo-2-piperidin-1-ylethyl) 2-(2,4-dichlorophenyl)acetate has a molecular weight of 330.21 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 2-(2,4-dichlorophenyl)acetate is sourced from PubChem (CID 2358398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).