[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate

C19H21N3O4 — CID 2397406

IUPAC[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]c1=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C19H21N3O4/c23-17(13-26-19(25)16-5-4-10-20-18(16)24)21-14-6-8-15(9-7-14)22-11-2-1-3-12-22/h4-10H,1-3,11-13H2,(H,20,24)(H,21,23)
InChIKeyVBYQESZTNWDYIO-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.16
Rot. Bonds5

About [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate

[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 2397406) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
PubChem CID2397406
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]c1=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C19H21N3O4/c23-17(13-26-19(25)16-5-4-10-20-18(16)24)21-14-6-8-15(9-7-14)22-11-2-1-3-12-22/h4-10H,1-3,11-13H2,(H,20,24)(H,21,23)
InChIKeyVBYQESZTNWDYIO-UHFFFAOYSA-N
XLogP2.16
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate (CID 2397406) is [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate is O=C(COC(=O)c1ccc[nH]c1=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is VBYQESZTNWDYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c23-17(13-26-19(25)16-5-4-10-20-18(16)24)21-14-6-8-15(9-7-14)22-11-2-1-3-12-22/h4-10H,1-3,11-13H2,(H,20,24)(H,21,23).
What are the key properties of [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 355.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 2397406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).