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

C19H25NO7 — CID 2997657

IUPACethyl 1-[2-[2-(2-methoxyphenoxy)acetyl]oxyacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)COc2ccccc2OC)CC1
InChIInChI=1S/C19H25NO7/c1-3-25-19(23)14-8-10-20(11-9-14)17(21)12-27-18(22)13-26-16-7-5-4-6-15(16)24-2/h4-7,14H,3,8-13H2,1-2H3
InChIKeySSTRAPPIEXAVAP-UHFFFAOYSA-N
MW379.41 g/mol
LogP1.42
Rot. Bonds8

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

ethyl 1-[2-[2-(2-methoxyphenoxy)acetyl]oxyacetyl]piperidine-4-carboxylate (PubChem CID 2997657) has the molecular formula C19H25NO7 and a molecular weight of 379.41 g/mol. Its IUPAC name is ethyl 1-[2-[2-(2-methoxyphenoxy)acetyl]oxyacetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[2-(2-methoxyphenoxy)acetyl]oxyacetyl]piperidine-4-carboxylate
PubChem CID2997657
Molecular FormulaC19H25NO7
Molecular Weight379.41 g/mol
Exact Mass379.16
IUPAC Nameethyl 1-[2-[2-(2-methoxyphenoxy)acetyl]oxyacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)COc2ccccc2OC)CC1
InChIInChI=1S/C19H25NO7/c1-3-25-19(23)14-8-10-20(11-9-14)17(21)12-27-18(22)13-26-16-7-5-4-6-15(16)24-2/h4-7,14H,3,8-13H2,1-2H3
InChIKeySSTRAPPIEXAVAP-UHFFFAOYSA-N
XLogP1.42
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[2-(2-methoxyphenoxy)acetyl]oxyacetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[2-(2-methoxyphenoxy)acetyl]oxyacetyl]piperidine-4-carboxylate (CID 2997657) is ethyl 1-[2-[2-(2-methoxyphenoxy)acetyl]oxyacetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[2-(2-methoxyphenoxy)acetyl]oxyacetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[2-(2-methoxyphenoxy)acetyl]oxyacetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)COC(=O)COc2ccccc2OC)CC1.
What is the InChIKey of ethyl 1-[2-[2-(2-methoxyphenoxy)acetyl]oxyacetyl]piperidine-4-carboxylate?
The InChIKey is SSTRAPPIEXAVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO7/c1-3-25-19(23)14-8-10-20(11-9-14)17(21)12-27-18(22)13-26-16-7-5-4-6-15(16)24-2/h4-7,14H,3,8-13H2,1-2H3.
What are the key properties of ethyl 1-[2-[2-(2-methoxyphenoxy)acetyl]oxyacetyl]piperidine-4-carboxylate?
ethyl 1-[2-[2-(2-methoxyphenoxy)acetyl]oxyacetyl]piperidine-4-carboxylate has a molecular weight of 379.41 g/mol, XLogP of 1.42, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[2-(2-methoxyphenoxy)acetyl]oxyacetyl]piperidine-4-carboxylate is sourced from PubChem (CID 2997657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).