[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate

C24H28N2O4 — CID 42892334

IUPAC[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
SMILESCC1CCCC(C)N1C(=O)COC(=O)c1ccccc1NC(=O)Cc1ccccc1
InChIInChI=1S/C24H28N2O4/c1-17-9-8-10-18(2)26(17)23(28)16-30-24(29)20-13-6-7-14-21(20)25-22(27)15-19-11-4-3-5-12-19/h3-7,11-14,17-18H,8-10,15-16H2,1-2H3,(H,25,27)
InChIKeyWXPGPODPZQWPEL-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.81
Rot. Bonds6

About [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate

[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate (PubChem CID 42892334) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate.

Molecular Properties

Compound Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
PubChem CID42892334
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
SMILESCC1CCCC(C)N1C(=O)COC(=O)c1ccccc1NC(=O)Cc1ccccc1
InChIInChI=1S/C24H28N2O4/c1-17-9-8-10-18(2)26(17)23(28)16-30-24(29)20-13-6-7-14-21(20)25-22(27)15-19-11-4-3-5-12-19/h3-7,11-14,17-18H,8-10,15-16H2,1-2H3,(H,25,27)
InChIKeyWXPGPODPZQWPEL-UHFFFAOYSA-N
XLogP3.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate with MolForge

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Related Compounds

[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 42982114
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]benzoate
CID 7835922
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 11926069
[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[benzyl(methyl)carbamoyl]benzoate
CID 7870382
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]propanoate
CID 46695873
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 8849849
2-chloroprop-2-enyl 2-[(2-phenylacetyl)amino]benzoate
CID 46678719
[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] furan-2-carboxylate
CID 2350620
[2-(4-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 17423024
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 7428538
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 2630473
benzyl 2,6-dimethylpiperidine-1-carboxylate
CID 69041433

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate?
The IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate (CID 42892334) is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate.
What is the SMILES notation for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate?
The canonical SMILES for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate is CC1CCCC(C)N1C(=O)COC(=O)c1ccccc1NC(=O)Cc1ccccc1.
What is the InChIKey of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate?
The InChIKey is WXPGPODPZQWPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-17-9-8-10-18(2)26(17)23(28)16-30-24(29)20-13-6-7-14-21(20)25-22(27)15-19-11-4-3-5-12-19/h3-7,11-14,17-18H,8-10,15-16H2,1-2H3,(H,25,27).
What are the key properties of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate?
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate has a molecular weight of 408.50 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate is sourced from PubChem (CID 42892334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).