[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate

C26H30N2O6 — CID 55467724

IUPAC[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
SMILESCCOc1ccc(/C=C/C(=O)OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1OC
InChIInChI=1S/C26H30N2O6/c1-3-33-22-11-9-19(17-23(22)32-2)10-12-25(30)34-18-24(29)28-15-13-20(14-16-28)26(31)27-21-7-5-4-6-8-21/h4-12,17,20H,3,13-16,18H2,1-2H3,(H,27,31)/b12-10+
InChIKeyCMNTWUOONFYKAC-ZRDIBKRKSA-N
MW466.53 g/mol
LogP3.53
Rot. Bonds9

About [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate

[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate (PubChem CID 55467724) has the molecular formula C26H30N2O6 and a molecular weight of 466.53 g/mol. Its IUPAC name is [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
PubChem CID55467724
Molecular FormulaC26H30N2O6
Molecular Weight466.53 g/mol
Exact Mass466.21
IUPAC Name[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
SMILESCCOc1ccc(/C=C/C(=O)OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1OC
InChIInChI=1S/C26H30N2O6/c1-3-33-22-11-9-19(17-23(22)32-2)10-12-25(30)34-18-24(29)28-15-13-20(14-16-28)26(31)27-21-7-5-4-6-8-21/h4-12,17,20H,3,13-16,18H2,1-2H3,(H,27,31)/b12-10+
InChIKeyCMNTWUOONFYKAC-ZRDIBKRKSA-N
XLogP3.53
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate 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-oxo-2-piperidin-1-ylethyl) 3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 4692193
[2-(azepan-1-yl)-2-oxoethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 2346238
1-[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide
CID 30880354
[2-(4-methoxyanilino)-2-oxoethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 7654147
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 7653888
N-[4-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide
CID 41265772
[2-(3-chloroanilino)-2-oxoethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 7654166
[2-(2,6-dichloroanilino)-2-oxoethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 41121049
methyl 4-[[2-[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]oxyacetyl]amino]benzoate
CID 7253648
[2-(2-acetylhydrazinyl)-2-oxoethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 7653890
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 4780132
ethyl 4-[[2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxyacetyl]amino]piperidine-1-carboxylate
CID 34140523

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate?
The IUPAC name of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate (CID 55467724) is [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate?
The canonical SMILES for [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate is CCOc1ccc(/C=C/C(=O)OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1OC.
What is the InChIKey of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate?
The InChIKey is CMNTWUOONFYKAC-ZRDIBKRKSA-N. The full InChI is InChI=1S/C26H30N2O6/c1-3-33-22-11-9-19(17-23(22)32-2)10-12-25(30)34-18-24(29)28-15-13-20(14-16-28)26(31)27-21-7-5-4-6-8-21/h4-12,17,20H,3,13-16,18H2,1-2H3,(H,27,31)/b12-10+.
What are the key properties of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate?
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate has a molecular weight of 466.53 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 55467724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).