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SDF/Mol File of Ethyl 4-[2-(3,4-dimethoxyphenyl)-3-methylbutanamido]piperidine-1-carboxylate (C21H32N2O5)

Identification of Ethyl 4-[2-(3,4-dimethoxyphenyl)-3-methylbutanamido]piperidine-1-carboxylate Chemical Compound

2D chemical structure image of ethyl 4-[2-(3,4-dimethoxyphenyl)-3-methylbutanamido]piperidine-1-carboxylate
Chemical Formula C21H32N2O5
Molecular Weight 392.48918 g/mol
IUPAC Name ethyl 4-[2-(3,4-dimethoxyphenyl)-3-methylbutanamido]piperidine-1-carboxylate
SMILES String CCOC(=O)N1CCC(CC1)NC(=O)C(C(C)C)c2ccc(OC)c(OC)c2
InChI InChI=1S/C21H32N2O5/c1-6-28-21(25)23-11-9-16(10-12-23)22-20(24)19(14(2)3)15-7-8-17(26-4)18(13-15)27-5/h7-8,13-14,16,19H,6,9-12H2,1-5H3,(H,22,24)
InChIKey KKBPQBWRCOAFLD-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of ethyl 4-[2-(3,4-dimethoxyphenyl)-3-methylbutanamido]piperidine-1-carboxylate is available for download. Click the link below to start downloading.

Download structure data file (SDF/MOL File)

The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of ethyl 4-[2-(3,4-dimethoxyphenyl)-3-methylbutanamido]piperidine-1-carboxylate molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.

The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.

3D chemical structure image of ethyl 4-[2-(3,4-dimethoxyphenyl)-3-methylbutanamido]piperidine-1-carboxylate
Ball-and-stick model of ethyl 4-[2-(3,4-dimethoxyphenyl)-3-methylbutanamido]piperidine-1-carboxylate

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  • InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

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Additional Information for Identifying Ethyl 4-[2-(3,4-dimethoxyphenyl)-3-methylbutanamido]piperidine-1-carboxylate Molecule

  • Other names (synonyms) or registry numbers of ethyl 4-[2-(3,4-dimethoxyphenyl)-3-methylbutanamido]piperidine-1-carboxylate

    The ethyl 4-[2-(3,4-dimethoxyphenyl)-3-methylbutanamido]piperidine-1-carboxylate compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of ethyl 4-[2-(3,4-dimethoxyphenyl)-3-methylbutanamido]piperidine-1-carboxylate including the registry numbers are listed below, if available:



    None available.


Ethyl 4-[2-(3,4-dimethoxyphenyl)-3-methylbutanamido]piperidine-1-carboxylate Identification Summary Frequently Asked Questions (FAQs)

What’s the ethyl 4-[2-(3,4-dimethoxyphenyl)-3-methylbutanamido]piperidine-1-carboxylate formula?
C21H32N2O5
How many atoms and what elements are included in the ethyl 4-[2-(3,4-dimethoxyphenyl)-3-methylbutanamido]piperidine-1-carboxylate molecule?
60 atom(s) - 32 Hydrogen atom(s), 21 Carbon atom(s), 2 Nitrogen atom(s), and 5 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the ethyl 4-[2-(3,4-dimethoxyphenyl)-3-methylbutanamido]piperidine-1-carboxylate structure?
61 bond(s) - 29 non-H bond(s), 8 multiple bond(s), 8 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 2 six-membered ring(s), 1 secondary amide(s) (aliphatic), 1 (thio-) carbamate(s) (aliphatic), and 2 ether(s) (aromatic)
What’s the ethyl 4-[2-(3,4-dimethoxyphenyl)-3-methylbutanamido]piperidine-1-carboxylate’s molar mass?
392.48918 g/mol
What’s the SMILES structure of ethyl 4-[2-(3,4-dimethoxyphenyl)-3-methylbutanamido]piperidine-1-carboxylate?
CCOC(=O)N1CCC(CC1)NC(=O)C(C(C)C)c2ccc(OC)c(OC)c2
What’s the InChI code of ethyl 4-[2-(3,4-dimethoxyphenyl)-3-methylbutanamido]piperidine-1-carboxylate?
InChI=1S/C21H32N2O5/c1-6-28-21(25)23-11-9-16(10-12-23)22-20(24)19(14(2)3)15-7-8-17(26-4)18(13-15)27-5/h7-8,13-14,16,19H,6,9-12H2,1-5H3,(H,22,24)
What’s the InChIKey format of ethyl 4-[2-(3,4-dimethoxyphenyl)-3-methylbutanamido]piperidine-1-carboxylate?
KKBPQBWRCOAFLD-UHFFFAOYSA-N

34 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).

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