ethyl 1-[2-(2-ethoxybenzoyl)oxyacetyl]piperidine-4-carboxylate

C19H25NO6 — CID 3600592

IUPACethyl 1-[2-(2-ethoxybenzoyl)oxyacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)c2ccccc2OCC)CC1
InChIInChI=1S/C19H25NO6/c1-3-24-16-8-6-5-7-15(16)19(23)26-13-17(21)20-11-9-14(10-12-20)18(22)25-4-2/h5-8,14H,3-4,9-13H2,1-2H3
InChIKeyRCGIXFHDEYIWCT-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.04
Rot. Bonds7

About ethyl 1-[2-(2-ethoxybenzoyl)oxyacetyl]piperidine-4-carboxylate

ethyl 1-[2-(2-ethoxybenzoyl)oxyacetyl]piperidine-4-carboxylate (PubChem CID 3600592) has the molecular formula C19H25NO6 and a molecular weight of 363.41 g/mol. Its IUPAC name is ethyl 1-[2-(2-ethoxybenzoyl)oxyacetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2-ethoxybenzoyl)oxyacetyl]piperidine-4-carboxylate
PubChem CID3600592
Molecular FormulaC19H25NO6
Molecular Weight363.41 g/mol
Exact Mass363.17
IUPAC Nameethyl 1-[2-(2-ethoxybenzoyl)oxyacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)c2ccccc2OCC)CC1
InChIInChI=1S/C19H25NO6/c1-3-24-16-8-6-5-7-15(16)19(23)26-13-17(21)20-11-9-14(10-12-20)18(22)25-4-2/h5-8,14H,3-4,9-13H2,1-2H3
InChIKeyRCGIXFHDEYIWCT-UHFFFAOYSA-N
XLogP2.04
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2-ethoxybenzoyl)oxyacetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(2-ethoxybenzoyl)oxyacetyl]piperidine-4-carboxylate (CID 3600592) is ethyl 1-[2-(2-ethoxybenzoyl)oxyacetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2-ethoxybenzoyl)oxyacetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(2-ethoxybenzoyl)oxyacetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)COC(=O)c2ccccc2OCC)CC1.
What is the InChIKey of ethyl 1-[2-(2-ethoxybenzoyl)oxyacetyl]piperidine-4-carboxylate?
The InChIKey is RCGIXFHDEYIWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO6/c1-3-24-16-8-6-5-7-15(16)19(23)26-13-17(21)20-11-9-14(10-12-20)18(22)25-4-2/h5-8,14H,3-4,9-13H2,1-2H3.
What are the key properties of ethyl 1-[2-(2-ethoxybenzoyl)oxyacetyl]piperidine-4-carboxylate?
ethyl 1-[2-(2-ethoxybenzoyl)oxyacetyl]piperidine-4-carboxylate has a molecular weight of 363.41 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2-ethoxybenzoyl)oxyacetyl]piperidine-4-carboxylate is sourced from PubChem (CID 3600592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).