ethyl 2-(2-piperidin-4-yloxyethylamino)pyridine-3-carboxylate

C15H23N3O3 — CID 63870177

IUPACethyl 2-(2-piperidin-4-yloxyethylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCCOC1CCNCC1
InChIInChI=1S/C15H23N3O3/c1-2-20-15(19)13-4-3-7-17-14(13)18-10-11-21-12-5-8-16-9-6-12/h3-4,7,12,16H,2,5-6,8-11H2,1H3,(H,17,18)
InChIKeyCBQZZQQBJNYHBV-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.44
Rot. Bonds7

About ethyl 2-(2-piperidin-4-yloxyethylamino)pyridine-3-carboxylate

ethyl 2-(2-piperidin-4-yloxyethylamino)pyridine-3-carboxylate (PubChem CID 63870177) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl 2-(2-piperidin-4-yloxyethylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-piperidin-4-yloxyethylamino)pyridine-3-carboxylate
PubChem CID63870177
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nameethyl 2-(2-piperidin-4-yloxyethylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCCOC1CCNCC1
InChIInChI=1S/C15H23N3O3/c1-2-20-15(19)13-4-3-7-17-14(13)18-10-11-21-12-5-8-16-9-6-12/h3-4,7,12,16H,2,5-6,8-11H2,1H3,(H,17,18)
InChIKeyCBQZZQQBJNYHBV-UHFFFAOYSA-N
XLogP1.44
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 104695510
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CID 24708096
ethyl 2-(2-methylsulfinylethylamino)pyridine-3-carboxylate
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ethyl 2-[(4-carbamoylcyclohexyl)amino]pyridine-3-carboxylate
CID 61044227
ethyl 2-(thian-4-ylmethylamino)pyridine-3-carboxylate
CID 104695484
ethyl 2-(4-hydroxypentylamino)pyridine-3-carboxylate
CID 107269211
ethyl 2-(3-methylsulfanylbutylamino)pyridine-3-carboxylate
CID 113494066
2-[3-(4-aminocyclohexyl)oxypropylamino]pyridine-3-carboxamide
CID 63869356
ethyl 2-(piperidin-4-ylmethoxy)pyridine-3-carboxylate
CID 62348531
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate
CID 104695405
ethyl 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxylate
CID 106337804

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-piperidin-4-yloxyethylamino)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(2-piperidin-4-yloxyethylamino)pyridine-3-carboxylate (CID 63870177) is ethyl 2-(2-piperidin-4-yloxyethylamino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(2-piperidin-4-yloxyethylamino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(2-piperidin-4-yloxyethylamino)pyridine-3-carboxylate is CCOC(=O)c1cccnc1NCCOC1CCNCC1.
What is the InChIKey of ethyl 2-(2-piperidin-4-yloxyethylamino)pyridine-3-carboxylate?
The InChIKey is CBQZZQQBJNYHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-20-15(19)13-4-3-7-17-14(13)18-10-11-21-12-5-8-16-9-6-12/h3-4,7,12,16H,2,5-6,8-11H2,1H3,(H,17,18).
What are the key properties of ethyl 2-(2-piperidin-4-yloxyethylamino)pyridine-3-carboxylate?
ethyl 2-(2-piperidin-4-yloxyethylamino)pyridine-3-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-piperidin-4-yloxyethylamino)pyridine-3-carboxylate is sourced from PubChem (CID 63870177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).