3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]benzoic acid

C20H20N2O4 — CID 119219540

IUPAC3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)C(c2ccccc2)N2CCCCC2=O)c1
InChIInChI=1S/C20H20N2O4/c23-17-11-4-5-12-22(17)18(14-7-2-1-3-8-14)19(24)21-16-10-6-9-15(13-16)20(25)26/h1-3,6-10,13,18H,4-5,11-12H2,(H,21,24)(H,25,26)
InChIKeyAMHGRAURCOMXAA-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.08
Rot. Bonds5

About 3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]benzoic acid

3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]benzoic acid (PubChem CID 119219540) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]benzoic acid
PubChem CID119219540
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)C(c2ccccc2)N2CCCCC2=O)c1
InChIInChI=1S/C20H20N2O4/c23-17-11-4-5-12-22(17)18(14-7-2-1-3-8-14)19(24)21-16-10-6-9-15(13-16)20(25)26/h1-3,6-10,13,18H,4-5,11-12H2,(H,21,24)(H,25,26)
InChIKeyAMHGRAURCOMXAA-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-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 56515108
N-[3-(morpholine-4-carbonyl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56577911
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
CID 56513814
N-(3-cyclopentyloxyphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515228
N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56516841
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515457
2-methoxyethyl N-[3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]phenyl]carbamate
CID 56577209
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
CID 56515984
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56513321
N-methyl-2-(2-oxopyrrolidin-1-yl)-2-phenylacetamide
CID 123551367
N-cyclopentyl-4-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]benzamide
CID 56513712
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
CID 56577093

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]benzoic acid?
The IUPAC name of 3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]benzoic acid (CID 119219540) is 3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]benzoic acid.
What is the SMILES notation for 3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]benzoic acid?
The canonical SMILES for 3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]benzoic acid is O=C(O)c1cccc(NC(=O)C(c2ccccc2)N2CCCCC2=O)c1.
What is the InChIKey of 3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]benzoic acid?
The InChIKey is AMHGRAURCOMXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-17-11-4-5-12-22(17)18(14-7-2-1-3-8-14)19(24)21-16-10-6-9-15(13-16)20(25)26/h1-3,6-10,13,18H,4-5,11-12H2,(H,21,24)(H,25,26).
What are the key properties of 3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]benzoic acid?
3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]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-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]benzoic acid is sourced from PubChem (CID 119219540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).