[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate

C25H29N3O6 — CID 31438555

IUPAC[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
SMILESCOc1ccc(CCC(=O)Nc2ccccc2C(=O)OCC(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C25H29N3O6/c1-33-19-9-6-17(7-10-19)8-11-22(29)27-21-5-3-2-4-20(21)25(32)34-16-23(30)28-14-12-18(13-15-28)24(26)31/h2-7,9-10,18H,8,11-16H2,1H3,(H2,26,31)(H,27,29)
InChIKeyOUSROJSEYCEBQI-UHFFFAOYSA-N
MW467.52 g/mol
LogP2.15
Rot. Bonds9

About [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate

[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate (PubChem CID 31438555) has the molecular formula C25H29N3O6 and a molecular weight of 467.52 g/mol. Its IUPAC name is [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate.

Molecular Properties

Compound Name[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
PubChem CID31438555
Molecular FormulaC25H29N3O6
Molecular Weight467.52 g/mol
Exact Mass467.21
IUPAC Name[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
SMILESCOc1ccc(CCC(=O)Nc2ccccc2C(=O)OCC(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C25H29N3O6/c1-33-19-9-6-17(7-10-19)8-11-22(29)27-21-5-3-2-4-20(21)25(32)34-16-23(30)28-14-12-18(13-15-28)24(26)31/h2-7,9-10,18H,8,11-16H2,1H3,(H2,26,31)(H,27,29)
InChIKeyOUSROJSEYCEBQI-UHFFFAOYSA-N
XLogP2.15
TPSA128.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate 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-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 42982114
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 46675286
(2-oxo-2-propan-2-yloxyethyl) 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 27042248
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 2706279
[2-(3-methylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 42981329
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 18104014
[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 43033084
[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 42982115
3-(4-methoxyphenyl)-N-[2-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]propanamide
CID 60562474
2-(2-fluorophenoxy)ethyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 18285361
ethyl 4-[2-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoyl]oxyacetyl]piperazine-1-carboxylate
CID 29318922
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 30400735

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate?
The IUPAC name of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate (CID 31438555) is [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate.
What is the SMILES notation for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate?
The canonical SMILES for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate is COc1ccc(CCC(=O)Nc2ccccc2C(=O)OCC(=O)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate?
The InChIKey is OUSROJSEYCEBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O6/c1-33-19-9-6-17(7-10-19)8-11-22(29)27-21-5-3-2-4-20(21)25(32)34-16-23(30)28-14-12-18(13-15-28)24(26)31/h2-7,9-10,18H,8,11-16H2,1H3,(H2,26,31)(H,27,29).
What are the key properties of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate?
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate has a molecular weight of 467.52 g/mol, XLogP of 2.15, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate is sourced from PubChem (CID 31438555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).