ethyl 1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate

C14H18N2O4 — CID 28826279

IUPACethyl 1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C14H18N2O4/c1-2-20-14(19)10-5-7-16(8-6-10)13(18)11-3-4-12(17)15-9-11/h3-4,9-10H,2,5-8H2,1H3,(H,15,17)
InChIKeyWTYSTHGIJRVWAL-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.79
Rot. Bonds3

About ethyl 1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate

ethyl 1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate (PubChem CID 28826279) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is ethyl 1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate
PubChem CID28826279
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Nameethyl 1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C14H18N2O4/c1-2-20-14(19)10-5-7-16(8-6-10)13(18)11-3-4-12(17)15-9-11/h3-4,9-10H,2,5-8H2,1H3,(H,15,17)
InChIKeyWTYSTHGIJRVWAL-UHFFFAOYSA-N
XLogP0.79
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate (CID 28826279) is ethyl 1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of ethyl 1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate?
The InChIKey is WTYSTHGIJRVWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-2-20-14(19)10-5-7-16(8-6-10)13(18)11-3-4-12(17)15-9-11/h3-4,9-10H,2,5-8H2,1H3,(H,15,17).
What are the key properties of ethyl 1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate?
ethyl 1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 28826279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).