ethyl 2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate

C19H23N3O3 — CID 99617166

IUPACethyl 2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1N1CCC(Oc2cccc(C)n2)CC1
InChIInChI=1S/C19H23N3O3/c1-3-24-19(23)16-7-5-11-20-18(16)22-12-9-15(10-13-22)25-17-8-4-6-14(2)21-17/h4-8,11,15H,3,9-10,12-13H2,1-2H3
InChIKeyOGFWFTPIKMDLKX-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.01
Rot. Bonds5

About ethyl 2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate

ethyl 2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate (PubChem CID 99617166) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate
PubChem CID99617166
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Nameethyl 2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1N1CCC(Oc2cccc(C)n2)CC1
InChIInChI=1S/C19H23N3O3/c1-3-24-19(23)16-7-5-11-20-18(16)22-12-9-15(10-13-22)25-17-8-4-6-14(2)21-17/h4-8,11,15H,3,9-10,12-13H2,1-2H3
InChIKeyOGFWFTPIKMDLKX-UHFFFAOYSA-N
XLogP3.01
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylate
CID 71741541
ethyl 2-(4-anilinopiperidin-1-yl)pyridine-3-carboxylate
CID 133468930
ethyl 2-(3-fluoropyrrolidin-1-yl)pyridine-3-carboxylate
CID 123284983
ethyl 2-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate
CID 133469987
ethyl 2-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]pyridine-3-carboxylate
CID 133471190
ethyl 2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]pyridine-3-carboxylate
CID 47082849
ethyl 2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylate
CID 133470034
ethyl 2-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylate
CID 133471518
ethyl 2-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 124617188
ethyl 2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carboxylate
CID 97351945
cyclobutyl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 72717362
ethyl 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 63309811

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate (CID 99617166) is ethyl 2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate is CCOC(=O)c1cccnc1N1CCC(Oc2cccc(C)n2)CC1.
What is the InChIKey of ethyl 2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate?
The InChIKey is OGFWFTPIKMDLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-24-19(23)16-7-5-11-20-18(16)22-12-9-15(10-13-22)25-17-8-4-6-14(2)21-17/h4-8,11,15H,3,9-10,12-13H2,1-2H3.
What are the key properties of ethyl 2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate?
ethyl 2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 99617166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).