ethyl 1-[2-[2-[(4-methoxybenzoyl)amino]acetyl]oxypropanoyl]piperidine-4-carboxylate

C21H28N2O7 — CID 55316119

IUPACethyl 1-[2-[2-[(4-methoxybenzoyl)amino]acetyl]oxypropanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)OC(=O)CNC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C21H28N2O7/c1-4-29-21(27)16-9-11-23(12-10-16)20(26)14(2)30-18(24)13-22-19(25)15-5-7-17(28-3)8-6-15/h5-8,14,16H,4,9-13H2,1-3H3,(H,22,25)
InChIKeyXWWDZEJIQUFNDL-UHFFFAOYSA-N
MW420.46 g/mol
LogP1.16
Rot. Bonds8

About ethyl 1-[2-[2-[(4-methoxybenzoyl)amino]acetyl]oxypropanoyl]piperidine-4-carboxylate

ethyl 1-[2-[2-[(4-methoxybenzoyl)amino]acetyl]oxypropanoyl]piperidine-4-carboxylate (PubChem CID 55316119) has the molecular formula C21H28N2O7 and a molecular weight of 420.46 g/mol. Its IUPAC name is ethyl 1-[2-[2-[(4-methoxybenzoyl)amino]acetyl]oxypropanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[2-[(4-methoxybenzoyl)amino]acetyl]oxypropanoyl]piperidine-4-carboxylate
PubChem CID55316119
Molecular FormulaC21H28N2O7
Molecular Weight420.46 g/mol
Exact Mass420.19
IUPAC Nameethyl 1-[2-[2-[(4-methoxybenzoyl)amino]acetyl]oxypropanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)OC(=O)CNC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C21H28N2O7/c1-4-29-21(27)16-9-11-23(12-10-16)20(26)14(2)30-18(24)13-22-19(25)15-5-7-17(28-3)8-6-15/h5-8,14,16H,4,9-13H2,1-3H3,(H,22,25)
InChIKeyXWWDZEJIQUFNDL-UHFFFAOYSA-N
XLogP1.16
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate
CID 925118
[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884737
ethyl 1-[2-[3-(thiophene-3-carbonylamino)propanoyloxy]propanoyl]piperidine-4-carboxylate
CID 55375253
ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-4-carboxylate
CID 27555474
ethyl 1-[2-(2-fluoro-4-methoxybenzoyl)oxypropanoyl]piperidine-4-carboxylate
CID 55378993
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788329
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882223
ethyl 1-[2-[4-(3-methylbutoxy)benzoyl]oxypropanoyl]piperidine-4-carboxylate
CID 55307202
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 55320179
ethyl 1-[(2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate
CID 124640325
ethyl 1-[2-[3-(4-fluorophenyl)propanoyloxy]propanoyl]piperidine-4-carboxylate
CID 55380370
[1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate
CID 46629792

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[2-[(4-methoxybenzoyl)amino]acetyl]oxypropanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[2-[(4-methoxybenzoyl)amino]acetyl]oxypropanoyl]piperidine-4-carboxylate (CID 55316119) is ethyl 1-[2-[2-[(4-methoxybenzoyl)amino]acetyl]oxypropanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[2-[(4-methoxybenzoyl)amino]acetyl]oxypropanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[2-[(4-methoxybenzoyl)amino]acetyl]oxypropanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C(C)OC(=O)CNC(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of ethyl 1-[2-[2-[(4-methoxybenzoyl)amino]acetyl]oxypropanoyl]piperidine-4-carboxylate?
The InChIKey is XWWDZEJIQUFNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O7/c1-4-29-21(27)16-9-11-23(12-10-16)20(26)14(2)30-18(24)13-22-19(25)15-5-7-17(28-3)8-6-15/h5-8,14,16H,4,9-13H2,1-3H3,(H,22,25).
What are the key properties of ethyl 1-[2-[2-[(4-methoxybenzoyl)amino]acetyl]oxypropanoyl]piperidine-4-carboxylate?
ethyl 1-[2-[2-[(4-methoxybenzoyl)amino]acetyl]oxypropanoyl]piperidine-4-carboxylate has a molecular weight of 420.46 g/mol, XLogP of 1.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[2-[(4-methoxybenzoyl)amino]acetyl]oxypropanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 55316119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).