ethyl 4-[[2-(3-ethoxy-4-methoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate

C20H28N2O7 — CID 34870859

IUPACethyl 4-[[2-(3-ethoxy-4-methoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)COC(=O)c2ccc(OC)c(OCC)c2)CC1
InChIInChI=1S/C20H28N2O7/c1-4-27-17-12-14(6-7-16(17)26-3)19(24)29-13-18(23)21-15-8-10-22(11-9-15)20(25)28-5-2/h6-7,12,15H,4-5,8-11,13H2,1-3H3,(H,21,23)
InChIKeyJRHPEXGVFJNBIM-UHFFFAOYSA-N
MW408.45 g/mol
LogP1.99
Rot. Bonds8

About ethyl 4-[[2-(3-ethoxy-4-methoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(3-ethoxy-4-methoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate (PubChem CID 34870859) has the molecular formula C20H28N2O7 and a molecular weight of 408.45 g/mol. Its IUPAC name is ethyl 4-[[2-(3-ethoxy-4-methoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(3-ethoxy-4-methoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate
PubChem CID34870859
Molecular FormulaC20H28N2O7
Molecular Weight408.45 g/mol
Exact Mass408.19
IUPAC Nameethyl 4-[[2-(3-ethoxy-4-methoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)COC(=O)c2ccc(OC)c(OCC)c2)CC1
InChIInChI=1S/C20H28N2O7/c1-4-27-17-12-14(6-7-16(17)26-3)19(24)29-13-18(23)21-15-8-10-22(11-9-15)20(25)28-5-2/h6-7,12,15H,4-5,8-11,13H2,1-3H3,(H,21,23)
InChIKeyJRHPEXGVFJNBIM-UHFFFAOYSA-N
XLogP1.99
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558614
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 7042976
[2-(cyclopropylamino)-2-oxoethyl] 3-amino-4-ethoxybenzoate
CID 61320899
ethyl 4-[[2-(4-butoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate
CID 34321831
[2-(cyclopropylamino)-2-oxoethyl] 4-butoxy-3-ethoxybenzoate
CID 2540841
[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 11908007
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501110
ethyl 4-[(4-ethoxy-3-methylbenzoyl)amino]piperidine-1-carboxylate
CID 110762169
[2-(cyclopropylamino)-2-oxoethyl] 3-methoxy-4-propoxybenzoate
CID 2600322
ethyl 4-[[2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxyacetyl]amino]piperidine-1-carboxylate
CID 34140523
ethyl 4-[[2-[4-(4-fluorophenoxy)benzoyl]oxyacetyl]amino]piperidine-1-carboxylate
CID 24520834
[2-(cyclohexylamino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7522935

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(3-ethoxy-4-methoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(3-ethoxy-4-methoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate (CID 34870859) is ethyl 4-[[2-(3-ethoxy-4-methoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(3-ethoxy-4-methoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(3-ethoxy-4-methoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)COC(=O)c2ccc(OC)c(OCC)c2)CC1.
What is the InChIKey of ethyl 4-[[2-(3-ethoxy-4-methoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate?
The InChIKey is JRHPEXGVFJNBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O7/c1-4-27-17-12-14(6-7-16(17)26-3)19(24)29-13-18(23)21-15-8-10-22(11-9-15)20(25)28-5-2/h6-7,12,15H,4-5,8-11,13H2,1-3H3,(H,21,23).
What are the key properties of ethyl 4-[[2-(3-ethoxy-4-methoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(3-ethoxy-4-methoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate has a molecular weight of 408.45 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(3-ethoxy-4-methoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 34870859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).