3-[2-oxo-2-[3-(2-oxopiperidin-1-yl)anilino]ethyl]benzoic acid

C20H20N2O4 — CID 120549405

IUPAC3-[2-oxo-2-[3-(2-oxopiperidin-1-yl)anilino]ethyl]benzoic acid
SMILESO=C(Cc1cccc(C(=O)O)c1)Nc1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C20H20N2O4/c23-18(12-14-5-3-6-15(11-14)20(25)26)21-16-7-4-8-17(13-16)22-10-2-1-9-19(22)24/h3-8,11,13H,1-2,9-10,12H2,(H,21,23)(H,25,26)
InChIKeyNORRNQWNPCOZPB-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.08
Rot. Bonds5

About 3-[2-oxo-2-[3-(2-oxopiperidin-1-yl)anilino]ethyl]benzoic acid

3-[2-oxo-2-[3-(2-oxopiperidin-1-yl)anilino]ethyl]benzoic acid (PubChem CID 120549405) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-[2-oxo-2-[3-(2-oxopiperidin-1-yl)anilino]ethyl]benzoic acid.

Molecular Properties

Compound Name3-[2-oxo-2-[3-(2-oxopiperidin-1-yl)anilino]ethyl]benzoic acid
PubChem CID120549405
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name3-[2-oxo-2-[3-(2-oxopiperidin-1-yl)anilino]ethyl]benzoic acid
SMILESO=C(Cc1cccc(C(=O)O)c1)Nc1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C20H20N2O4/c23-18(12-14-5-3-6-15(11-14)20(25)26)21-16-7-4-8-17(13-16)22-10-2-1-9-19(22)24/h3-8,11,13H,1-2,9-10,12H2,(H,21,23)(H,25,26)
InChIKeyNORRNQWNPCOZPB-UHFFFAOYSA-N
XLogP3.08
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 46425011
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)anilino]propyl]benzamide
CID 17487273
tert-butyl N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]phenyl]carbamate
CID 46556759
N-benzyl-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 18584460
N-(3-bromophenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9038771
N-[3-(2-oxopiperidin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 71806485
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(hydroxymethyl)benzoate
CID 36572037
2-(2-nitrophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 26458961
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
2-[3-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-pyridin-4-yloxyphenyl)acetamide
CID 166225103
N-[3-(2-oxopiperidin-1-yl)phenyl]cyclopentanecarboxamide
CID 7687609

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[3-(2-oxopiperidin-1-yl)anilino]ethyl]benzoic acid?
The IUPAC name of 3-[2-oxo-2-[3-(2-oxopiperidin-1-yl)anilino]ethyl]benzoic acid (CID 120549405) is 3-[2-oxo-2-[3-(2-oxopiperidin-1-yl)anilino]ethyl]benzoic acid.
What is the SMILES notation for 3-[2-oxo-2-[3-(2-oxopiperidin-1-yl)anilino]ethyl]benzoic acid?
The canonical SMILES for 3-[2-oxo-2-[3-(2-oxopiperidin-1-yl)anilino]ethyl]benzoic acid is O=C(Cc1cccc(C(=O)O)c1)Nc1cccc(N2CCCCC2=O)c1.
What is the InChIKey of 3-[2-oxo-2-[3-(2-oxopiperidin-1-yl)anilino]ethyl]benzoic acid?
The InChIKey is NORRNQWNPCOZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-18(12-14-5-3-6-15(11-14)20(25)26)21-16-7-4-8-17(13-16)22-10-2-1-9-19(22)24/h3-8,11,13H,1-2,9-10,12H2,(H,21,23)(H,25,26).
What are the key properties of 3-[2-oxo-2-[3-(2-oxopiperidin-1-yl)anilino]ethyl]benzoic acid?
3-[2-oxo-2-[3-(2-oxopiperidin-1-yl)anilino]ethyl]benzoic acid has a molecular weight of 352.39 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[3-(2-oxopiperidin-1-yl)anilino]ethyl]benzoic acid is sourced from PubChem (CID 120549405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).