ethyl 2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylate

C16H22N2O4 — CID 71741541

IUPACethyl 2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C16H22N2O4/c1-3-21-15(19)12-7-10-18(11-8-12)14-13(6-5-9-17-14)16(20)22-4-2/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3
InChIKeySXKQELMROQLMIB-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.04
Rot. Bonds5

About ethyl 2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylate

ethyl 2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylate (PubChem CID 71741541) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is ethyl 2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylate
PubChem CID71741541
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Nameethyl 2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C16H22N2O4/c1-3-21-15(19)12-7-10-18(11-8-12)14-13(6-5-9-17-14)16(20)22-4-2/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3
InChIKeySXKQELMROQLMIB-UHFFFAOYSA-N
XLogP2.04
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55441207
ethyl 2-(3-fluoropyrrolidin-1-yl)pyridine-3-carboxylate
CID 123284983
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-anilinopiperidin-1-yl)pyridine-3-carboxylate
CID 133468930
ethyl 1-(3-nitro-2-pyridinyl)piperidine-4-carboxylate
CID 60631682
ethyl 2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate
CID 99617166
2-ethoxyethyl 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55569349
ethyl 1-[5-amino-6-(2-ethoxycarbonylanilino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19142183
[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-methoxypyridine-3-carboxylate
CID 55555560
ethyl 2-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate
CID 133469987
ethyl 1-(2-oxo-1H-pyrazin-3-yl)piperidine-4-carboxylate
CID 115650147

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylate (CID 71741541) is ethyl 2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylate is CCOC(=O)c1cccnc1N1CCC(C(=O)OCC)CC1.
What is the InChIKey of ethyl 2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylate?
The InChIKey is SXKQELMROQLMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-3-21-15(19)12-7-10-18(11-8-12)14-13(6-5-9-17-14)16(20)22-4-2/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of ethyl 2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylate?
ethyl 2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylate has a molecular weight of 306.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylate is sourced from PubChem (CID 71741541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).