5-methoxy-2-[(2R)-2-phenylmorpholine-4-carbonyl]-1H-pyridin-4-one

C17H18N2O4 — CID 125433234

IUPAC5-methoxy-2-[(2R)-2-phenylmorpholine-4-carbonyl]-1H-pyridin-4-one
SMILESCOc1c[nH]c(C(=O)N2CCO[C@H](c3ccccc3)C2)cc1=O
InChIInChI=1S/C17H18N2O4/c1-22-15-10-18-13(9-14(15)20)17(21)19-7-8-23-16(11-19)12-5-3-2-4-6-12/h2-6,9-10,16H,7-8,11H2,1H3,(H,18,20)/t16-/m0/s1
InChIKeyBXEPJOYQABESDS-INIZCTEOSA-N
MW314.34 g/mol
LogP1.60
Rot. Bonds3

About 5-methoxy-2-[(2R)-2-phenylmorpholine-4-carbonyl]-1H-pyridin-4-one

5-methoxy-2-[(2R)-2-phenylmorpholine-4-carbonyl]-1H-pyridin-4-one (PubChem CID 125433234) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 5-methoxy-2-[(2R)-2-phenylmorpholine-4-carbonyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name5-methoxy-2-[(2R)-2-phenylmorpholine-4-carbonyl]-1H-pyridin-4-one
PubChem CID125433234
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name5-methoxy-2-[(2R)-2-phenylmorpholine-4-carbonyl]-1H-pyridin-4-one
SMILESCOc1c[nH]c(C(=O)N2CCO[C@H](c3ccccc3)C2)cc1=O
InChIInChI=1S/C17H18N2O4/c1-22-15-10-18-13(9-14(15)20)17(21)19-7-8-23-16(11-19)12-5-3-2-4-6-12/h2-6,9-10,16H,7-8,11H2,1H3,(H,18,20)/t16-/m0/s1
InChIKeyBXEPJOYQABESDS-INIZCTEOSA-N
XLogP1.60
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(2R)-2-phenylmorpholine-4-carbonyl]-1H-pyridin-4-one?
The IUPAC name of 5-methoxy-2-[(2R)-2-phenylmorpholine-4-carbonyl]-1H-pyridin-4-one (CID 125433234) is 5-methoxy-2-[(2R)-2-phenylmorpholine-4-carbonyl]-1H-pyridin-4-one.
What is the SMILES notation for 5-methoxy-2-[(2R)-2-phenylmorpholine-4-carbonyl]-1H-pyridin-4-one?
The canonical SMILES for 5-methoxy-2-[(2R)-2-phenylmorpholine-4-carbonyl]-1H-pyridin-4-one is COc1c[nH]c(C(=O)N2CCO[C@H](c3ccccc3)C2)cc1=O.
What is the InChIKey of 5-methoxy-2-[(2R)-2-phenylmorpholine-4-carbonyl]-1H-pyridin-4-one?
The InChIKey is BXEPJOYQABESDS-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-22-15-10-18-13(9-14(15)20)17(21)19-7-8-23-16(11-19)12-5-3-2-4-6-12/h2-6,9-10,16H,7-8,11H2,1H3,(H,18,20)/t16-/m0/s1.
What are the key properties of 5-methoxy-2-[(2R)-2-phenylmorpholine-4-carbonyl]-1H-pyridin-4-one?
5-methoxy-2-[(2R)-2-phenylmorpholine-4-carbonyl]-1H-pyridin-4-one has a molecular weight of 314.34 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(2R)-2-phenylmorpholine-4-carbonyl]-1H-pyridin-4-one is sourced from PubChem (CID 125433234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).