ethyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate

C14H18N2O5 — CID 43623384

IUPACethyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(O)[nH]c(=O)c2)CC1
InChIInChI=1S/C14H18N2O5/c1-2-21-14(20)9-3-5-16(6-4-9)13(19)10-7-11(17)15-12(18)8-10/h7-9H,2-6H2,1H3,(H2,15,17,18)
InChIKeyRECFIZSKEXFSBP-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.50
Rot. Bonds3

About ethyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate

ethyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate (PubChem CID 43623384) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is ethyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate
PubChem CID43623384
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Nameethyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(O)[nH]c(=O)c2)CC1
InChIInChI=1S/C14H18N2O5/c1-2-21-14(20)9-3-5-16(6-4-9)13(19)10-7-11(17)15-12(18)8-10/h7-9H,2-6H2,1H3,(H2,15,17,18)
InChIKeyRECFIZSKEXFSBP-UHFFFAOYSA-N
XLogP0.50
TPSA99.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate (CID 43623384) is ethyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cc(O)[nH]c(=O)c2)CC1.
What is the InChIKey of ethyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate?
The InChIKey is RECFIZSKEXFSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-2-21-14(20)9-3-5-16(6-4-9)13(19)10-7-11(17)15-12(18)8-10/h7-9H,2-6H2,1H3,(H2,15,17,18).
What are the key properties of ethyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate?
ethyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 43623384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).