(2-oxo-2-piperidin-1-ylethyl) 2-(4-anilinophenoxy)acetate

C21H24N2O4 — CID 2556596

IUPAC(2-oxo-2-piperidin-1-ylethyl) 2-(4-anilinophenoxy)acetate
SMILESO=C(COc1ccc(Nc2ccccc2)cc1)OCC(=O)N1CCCCC1
InChIInChI=1S/C21H24N2O4/c24-20(23-13-5-2-6-14-23)15-27-21(25)16-26-19-11-9-18(10-12-19)22-17-7-3-1-4-8-17/h1,3-4,7-12,22H,2,5-6,13-16H2
InChIKeySWWRKTDGMCXULS-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.36
Rot. Bonds7

About (2-oxo-2-piperidin-1-ylethyl) 2-(4-anilinophenoxy)acetate

(2-oxo-2-piperidin-1-ylethyl) 2-(4-anilinophenoxy)acetate (PubChem CID 2556596) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 2-(4-anilinophenoxy)acetate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 2-(4-anilinophenoxy)acetate
PubChem CID2556596
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 2-(4-anilinophenoxy)acetate
SMILESO=C(COc1ccc(Nc2ccccc2)cc1)OCC(=O)N1CCCCC1
InChIInChI=1S/C21H24N2O4/c24-20(23-13-5-2-6-14-23)15-27-21(25)16-26-19-11-9-18(10-12-19)22-17-7-3-1-4-8-17/h1,3-4,7-12,22H,2,5-6,13-16H2
InChIKeySWWRKTDGMCXULS-UHFFFAOYSA-N
XLogP3.36
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-oxo-2-piperidin-1-ylethyl) 2-(4-anilinophenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(azepan-1-yl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 2355354
2-(4-anilinophenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 18156952
[2-(cyclopentylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate
CID 7149623
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-phenoxyacetate
CID 7980424
2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone
CID 54908646
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(3,4-dimethylphenoxy)acetate
CID 23905536
4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide
CID 8566237
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(2-fluorophenoxy)acetate
CID 23885124
1-(azetidin-1-yl)-2-(4-phenoxyphenoxy)ethanone
CID 47018240
[2-(azocan-1-yl)-2-oxoethyl] 4-(phenylcarbamoylamino)benzoate
CID 35236311
2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020
1-(azetidin-1-yl)-2-[4-(methylamino)phenoxy]ethanone
CID 61026928

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-(4-anilinophenoxy)acetate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-(4-anilinophenoxy)acetate (CID 2556596) is (2-oxo-2-piperidin-1-ylethyl) 2-(4-anilinophenoxy)acetate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 2-(4-anilinophenoxy)acetate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 2-(4-anilinophenoxy)acetate is O=C(COc1ccc(Nc2ccccc2)cc1)OCC(=O)N1CCCCC1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 2-(4-anilinophenoxy)acetate?
The InChIKey is SWWRKTDGMCXULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c24-20(23-13-5-2-6-14-23)15-27-21(25)16-26-19-11-9-18(10-12-19)22-17-7-3-1-4-8-17/h1,3-4,7-12,22H,2,5-6,13-16H2.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 2-(4-anilinophenoxy)acetate?
(2-oxo-2-piperidin-1-ylethyl) 2-(4-anilinophenoxy)acetate has a molecular weight of 368.43 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 2-(4-anilinophenoxy)acetate is sourced from PubChem (CID 2556596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).