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

C14H19N3O4 — CID 28826314

IUPACethyl 4-[(6-oxo-1H-pyridine-3-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C14H19N3O4/c1-2-21-14(20)17-7-5-11(6-8-17)16-13(19)10-3-4-12(18)15-9-10/h3-4,9,11H,2,5-8H2,1H3,(H,15,18)(H,16,19)
InChIKeyXRDRSKMXWIKAJD-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.73
Rot. Bonds3

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

ethyl 4-[(6-oxo-1H-pyridine-3-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 28826314) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is ethyl 4-[(6-oxo-1H-pyridine-3-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(6-oxo-1H-pyridine-3-carbonyl)amino]piperidine-1-carboxylate
PubChem CID28826314
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Nameethyl 4-[(6-oxo-1H-pyridine-3-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C14H19N3O4/c1-2-21-14(20)17-7-5-11(6-8-17)16-13(19)10-3-4-12(18)15-9-10/h3-4,9,11H,2,5-8H2,1H3,(H,15,18)(H,16,19)
InChIKeyXRDRSKMXWIKAJD-UHFFFAOYSA-N
XLogP0.73
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6-oxo-1H-pyridine-3-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(6-oxo-1H-pyridine-3-carbonyl)amino]piperidine-1-carboxylate (CID 28826314) is ethyl 4-[(6-oxo-1H-pyridine-3-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(6-oxo-1H-pyridine-3-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(6-oxo-1H-pyridine-3-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of ethyl 4-[(6-oxo-1H-pyridine-3-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is XRDRSKMXWIKAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-21-14(20)17-7-5-11(6-8-17)16-13(19)10-3-4-12(18)15-9-10/h3-4,9,11H,2,5-8H2,1H3,(H,15,18)(H,16,19).
What are the key properties of ethyl 4-[(6-oxo-1H-pyridine-3-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(6-oxo-1H-pyridine-3-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6-oxo-1H-pyridine-3-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 28826314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).