ethyl 1-(3-methoxypyridine-4-carbonyl)piperidine-4-carboxylate

C15H20N2O4 — CID 105064219

IUPACethyl 1-(3-methoxypyridine-4-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccncc2OC)CC1
InChIInChI=1S/C15H20N2O4/c1-3-21-15(19)11-5-8-17(9-6-11)14(18)12-4-7-16-10-13(12)20-2/h4,7,10-11H,3,5-6,8-9H2,1-2H3
InChIKeyUZZVZZGVCVAVST-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.51
Rot. Bonds4

About ethyl 1-(3-methoxypyridine-4-carbonyl)piperidine-4-carboxylate

ethyl 1-(3-methoxypyridine-4-carbonyl)piperidine-4-carboxylate (PubChem CID 105064219) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is ethyl 1-(3-methoxypyridine-4-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-methoxypyridine-4-carbonyl)piperidine-4-carboxylate
PubChem CID105064219
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Nameethyl 1-(3-methoxypyridine-4-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccncc2OC)CC1
InChIInChI=1S/C15H20N2O4/c1-3-21-15(19)11-5-8-17(9-6-11)14(18)12-4-7-16-10-13(12)20-2/h4,7,10-11H,3,5-6,8-9H2,1-2H3
InChIKeyUZZVZZGVCVAVST-UHFFFAOYSA-N
XLogP1.51
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(ethylamino)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105062869
[4-(chloromethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105064486
ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-4-carboxylate
CID 110763374
ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate
CID 2303084
ethyl 1-(5-fluoro-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761172
ethyl 1-(5-ethyl-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761989
ethyl 1-(5-bromo-2-methoxybenzoyl)piperidine-4-carboxylate
CID 17230871
ethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 59322202
ethyl 1-(2,3-difluoropyridine-4-carbonyl)piperidine-4-carboxylate
CID 105380316
ethyl 1-(2,4,5-trimethylbenzoyl)piperidine-4-carboxylate
CID 95970660
(3-methoxy-4-pyridinyl)-morpholin-4-ylmethanone
CID 105063802
[3-(aminomethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105062936

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-methoxypyridine-4-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3-methoxypyridine-4-carbonyl)piperidine-4-carboxylate (CID 105064219) is ethyl 1-(3-methoxypyridine-4-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-methoxypyridine-4-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3-methoxypyridine-4-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccncc2OC)CC1.
What is the InChIKey of ethyl 1-(3-methoxypyridine-4-carbonyl)piperidine-4-carboxylate?
The InChIKey is UZZVZZGVCVAVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-21-15(19)11-5-8-17(9-6-11)14(18)12-4-7-16-10-13(12)20-2/h4,7,10-11H,3,5-6,8-9H2,1-2H3.
What are the key properties of ethyl 1-(3-methoxypyridine-4-carbonyl)piperidine-4-carboxylate?
ethyl 1-(3-methoxypyridine-4-carbonyl)piperidine-4-carboxylate has a molecular weight of 292.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-methoxypyridine-4-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 105064219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).