1-[2-[4-(morpholin-4-ylmethyl)phenyl]propyl]-4-phenylmethoxypyridin-2-one

C26H30N2O3 — CID 25029072

IUPAC1-[2-[4-(morpholin-4-ylmethyl)phenyl]propyl]-4-phenylmethoxypyridin-2-one
SMILESCC(Cn1ccc(OCc2ccccc2)cc1=O)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C26H30N2O3/c1-21(24-9-7-22(8-10-24)19-27-13-15-30-16-14-27)18-28-12-11-25(17-26(28)29)31-20-23-5-3-2-4-6-23/h2-12,17,21H,13-16,18-20H2,1H3
InChIKeyPALJUHDVYOUGFG-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.06
Rot. Bonds8

About 1-[2-[4-(morpholin-4-ylmethyl)phenyl]propyl]-4-phenylmethoxypyridin-2-one

1-[2-[4-(morpholin-4-ylmethyl)phenyl]propyl]-4-phenylmethoxypyridin-2-one (PubChem CID 25029072) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1-[2-[4-(morpholin-4-ylmethyl)phenyl]propyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(morpholin-4-ylmethyl)phenyl]propyl]-4-phenylmethoxypyridin-2-one
PubChem CID25029072
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name1-[2-[4-(morpholin-4-ylmethyl)phenyl]propyl]-4-phenylmethoxypyridin-2-one
SMILESCC(Cn1ccc(OCc2ccccc2)cc1=O)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C26H30N2O3/c1-21(24-9-7-22(8-10-24)19-27-13-15-30-16-14-27)18-28-12-11-25(17-26(28)29)31-20-23-5-3-2-4-6-23/h2-12,17,21H,13-16,18-20H2,1H3
InChIKeyPALJUHDVYOUGFG-UHFFFAOYSA-N
XLogP4.06
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 71730920
1-[2-(4-ethylphenyl)ethyl]-4-phenylmethoxypyridin-2-one
CID 91337677
4-phenylmethoxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one
CID 22050640
1-[2-hydroxy-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]-4-phenylmethoxypyridin-2-one
CID 58042710
4-[(2S)-2-phenylpropyl]morpholine
CID 757569
2-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid
CID 105345603
4-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyridin-2-one
CID 22050569
4-[(2R)-2-(4-phenylphenyl)propyl]morpholine
CID 96566967
N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide
CID 135336988
4-[2-[2,4-bis(phenylmethoxy)phenoxy]ethyl]morpholine
CID 130178723
(3R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylbutanamide
CID 26008683
1-[2-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 58042744

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(morpholin-4-ylmethyl)phenyl]propyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[2-[4-(morpholin-4-ylmethyl)phenyl]propyl]-4-phenylmethoxypyridin-2-one (CID 25029072) is 1-[2-[4-(morpholin-4-ylmethyl)phenyl]propyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[2-[4-(morpholin-4-ylmethyl)phenyl]propyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[2-[4-(morpholin-4-ylmethyl)phenyl]propyl]-4-phenylmethoxypyridin-2-one is CC(Cn1ccc(OCc2ccccc2)cc1=O)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 1-[2-[4-(morpholin-4-ylmethyl)phenyl]propyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is PALJUHDVYOUGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-21(24-9-7-22(8-10-24)19-27-13-15-30-16-14-27)18-28-12-11-25(17-26(28)29)31-20-23-5-3-2-4-6-23/h2-12,17,21H,13-16,18-20H2,1H3.
What are the key properties of 1-[2-[4-(morpholin-4-ylmethyl)phenyl]propyl]-4-phenylmethoxypyridin-2-one?
1-[2-[4-(morpholin-4-ylmethyl)phenyl]propyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 418.54 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(morpholin-4-ylmethyl)phenyl]propyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 25029072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).