2-benzyl-4-[3-(morpholine-4-carbonyl)phenyl]-4H-pyridin-3-one

C23H22N2O3 — CID 67692932

IUPAC2-benzyl-4-[3-(morpholine-4-carbonyl)phenyl]-4H-pyridin-3-one
SMILESO=C1C(Cc2ccccc2)=NC=CC1c1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C23H22N2O3/c26-22-20(9-10-24-21(22)15-17-5-2-1-3-6-17)18-7-4-8-19(16-18)23(27)25-11-13-28-14-12-25/h1-10,16,20H,11-15H2
InChIKeyYJGJUMHFDOPQQC-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.02
Rot. Bonds4

About 2-benzyl-4-[3-(morpholine-4-carbonyl)phenyl]-4H-pyridin-3-one

2-benzyl-4-[3-(morpholine-4-carbonyl)phenyl]-4H-pyridin-3-one (PubChem CID 67692932) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-benzyl-4-[3-(morpholine-4-carbonyl)phenyl]-4H-pyridin-3-one.

Molecular Properties

Compound Name2-benzyl-4-[3-(morpholine-4-carbonyl)phenyl]-4H-pyridin-3-one
PubChem CID67692932
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name2-benzyl-4-[3-(morpholine-4-carbonyl)phenyl]-4H-pyridin-3-one
SMILESO=C1C(Cc2ccccc2)=NC=CC1c1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C23H22N2O3/c26-22-20(9-10-24-21(22)15-17-5-2-1-3-6-17)18-7-4-8-19(16-18)23(27)25-11-13-28-14-12-25/h1-10,16,20H,11-15H2
InChIKeyYJGJUMHFDOPQQC-UHFFFAOYSA-N
XLogP3.02
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-[3-(morpholine-4-carbonyl)phenyl]-4H-pyridin-3-one?
The IUPAC name of 2-benzyl-4-[3-(morpholine-4-carbonyl)phenyl]-4H-pyridin-3-one (CID 67692932) is 2-benzyl-4-[3-(morpholine-4-carbonyl)phenyl]-4H-pyridin-3-one.
What is the SMILES notation for 2-benzyl-4-[3-(morpholine-4-carbonyl)phenyl]-4H-pyridin-3-one?
The canonical SMILES for 2-benzyl-4-[3-(morpholine-4-carbonyl)phenyl]-4H-pyridin-3-one is O=C1C(Cc2ccccc2)=NC=CC1c1cccc(C(=O)N2CCOCC2)c1.
What is the InChIKey of 2-benzyl-4-[3-(morpholine-4-carbonyl)phenyl]-4H-pyridin-3-one?
The InChIKey is YJGJUMHFDOPQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c26-22-20(9-10-24-21(22)15-17-5-2-1-3-6-17)18-7-4-8-19(16-18)23(27)25-11-13-28-14-12-25/h1-10,16,20H,11-15H2.
What are the key properties of 2-benzyl-4-[3-(morpholine-4-carbonyl)phenyl]-4H-pyridin-3-one?
2-benzyl-4-[3-(morpholine-4-carbonyl)phenyl]-4H-pyridin-3-one has a molecular weight of 374.44 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-[3-(morpholine-4-carbonyl)phenyl]-4H-pyridin-3-one is sourced from PubChem (CID 67692932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).