ethyl 4-[6-(2-ethoxy-3-pyridinyl)-3-pyridinyl]piperidine-4-carboxylate

C20H25N3O3 — CID 156502327

IUPACethyl 4-[6-(2-ethoxy-3-pyridinyl)-3-pyridinyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccc(-c3cccnc3OCC)nc2)CCNCC1
InChIInChI=1S/C20H25N3O3/c1-3-25-18-16(6-5-11-22-18)17-8-7-15(14-23-17)20(19(24)26-4-2)9-12-21-13-10-20/h5-8,11,14,21H,3-4,9-10,12-13H2,1-2H3
InChIKeyGYSLWICKNCNEEA-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.73
Rot. Bonds6

About ethyl 4-[6-(2-ethoxy-3-pyridinyl)-3-pyridinyl]piperidine-4-carboxylate

ethyl 4-[6-(2-ethoxy-3-pyridinyl)-3-pyridinyl]piperidine-4-carboxylate (PubChem CID 156502327) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is ethyl 4-[6-(2-ethoxy-3-pyridinyl)-3-pyridinyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-(2-ethoxy-3-pyridinyl)-3-pyridinyl]piperidine-4-carboxylate
PubChem CID156502327
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Nameethyl 4-[6-(2-ethoxy-3-pyridinyl)-3-pyridinyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccc(-c3cccnc3OCC)nc2)CCNCC1
InChIInChI=1S/C20H25N3O3/c1-3-25-18-16(6-5-11-22-18)17-8-7-15(14-23-17)20(19(24)26-4-2)9-12-21-13-10-20/h5-8,11,14,21H,3-4,9-10,12-13H2,1-2H3
InChIKeyGYSLWICKNCNEEA-UHFFFAOYSA-N
XLogP2.73
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-(2-ethoxy-3-pyridinyl)-3-pyridinyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 4-[6-(2-ethoxy-3-pyridinyl)-3-pyridinyl]piperidine-4-carboxylate (CID 156502327) is ethyl 4-[6-(2-ethoxy-3-pyridinyl)-3-pyridinyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-[6-(2-ethoxy-3-pyridinyl)-3-pyridinyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-[6-(2-ethoxy-3-pyridinyl)-3-pyridinyl]piperidine-4-carboxylate is CCOC(=O)C1(c2ccc(-c3cccnc3OCC)nc2)CCNCC1.
What is the InChIKey of ethyl 4-[6-(2-ethoxy-3-pyridinyl)-3-pyridinyl]piperidine-4-carboxylate?
The InChIKey is GYSLWICKNCNEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-3-25-18-16(6-5-11-22-18)17-8-7-15(14-23-17)20(19(24)26-4-2)9-12-21-13-10-20/h5-8,11,14,21H,3-4,9-10,12-13H2,1-2H3.
What are the key properties of ethyl 4-[6-(2-ethoxy-3-pyridinyl)-3-pyridinyl]piperidine-4-carboxylate?
ethyl 4-[6-(2-ethoxy-3-pyridinyl)-3-pyridinyl]piperidine-4-carboxylate has a molecular weight of 355.44 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-(2-ethoxy-3-pyridinyl)-3-pyridinyl]piperidine-4-carboxylate is sourced from PubChem (CID 156502327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).