[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] pyridine-4-carboxylate

C18H18N2O4 — CID 9412862

IUPAC[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] pyridine-4-carboxylate
SMILESO=C(O[C@H](C(=O)N1CCOCC1)c1ccccc1)c1ccncc1
InChIInChI=1S/C18H18N2O4/c21-17(20-10-12-23-13-11-20)16(14-4-2-1-3-5-14)24-18(22)15-6-8-19-9-7-15/h1-9,16H,10-13H2/t16-/m0/s1
InChIKeySZOZVZLPNGVXML-INIZCTEOSA-N
MW326.35 g/mol
LogP1.84
Rot. Bonds4

About [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] pyridine-4-carboxylate

[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] pyridine-4-carboxylate (PubChem CID 9412862) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] pyridine-4-carboxylate.

Molecular Properties

Compound Name[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] pyridine-4-carboxylate
PubChem CID9412862
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] pyridine-4-carboxylate
SMILESO=C(O[C@H](C(=O)N1CCOCC1)c1ccccc1)c1ccncc1
InChIInChI=1S/C18H18N2O4/c21-17(20-10-12-23-13-11-20)16(14-4-2-1-3-5-14)24-18(22)15-6-8-19-9-7-15/h1-9,16H,10-13H2/t16-/m0/s1
InChIKeySZOZVZLPNGVXML-INIZCTEOSA-N
XLogP1.84
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] pyridine-4-carboxylate?
The IUPAC name of [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] pyridine-4-carboxylate (CID 9412862) is [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] pyridine-4-carboxylate.
What is the SMILES notation for [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] pyridine-4-carboxylate?
The canonical SMILES for [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] pyridine-4-carboxylate is O=C(O[C@H](C(=O)N1CCOCC1)c1ccccc1)c1ccncc1.
What is the InChIKey of [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] pyridine-4-carboxylate?
The InChIKey is SZOZVZLPNGVXML-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-17(20-10-12-23-13-11-20)16(14-4-2-1-3-5-14)24-18(22)15-6-8-19-9-7-15/h1-9,16H,10-13H2/t16-/m0/s1.
What are the key properties of [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] pyridine-4-carboxylate?
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] pyridine-4-carboxylate has a molecular weight of 326.35 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] pyridine-4-carboxylate is sourced from PubChem (CID 9412862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).