6-(2,6-dimethoxyphenyl)-1-[(3-pyridin-2-ylphenyl)methyl]piperidin-2-one

C25H26N2O3 — CID 69081570

IUPAC6-(2,6-dimethoxyphenyl)-1-[(3-pyridin-2-ylphenyl)methyl]piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(-c2ccccn2)c1
InChIInChI=1S/C25H26N2O3/c1-29-22-12-7-13-23(30-2)25(22)21-11-6-14-24(28)27(21)17-18-8-5-9-19(16-18)20-10-3-4-15-26-20/h3-5,7-10,12-13,15-16,21H,6,11,14,17H2,1-2H3
InChIKeyFUJVNLYASSNBHW-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.02
Rot. Bonds6

About 6-(2,6-dimethoxyphenyl)-1-[(3-pyridin-2-ylphenyl)methyl]piperidin-2-one

6-(2,6-dimethoxyphenyl)-1-[(3-pyridin-2-ylphenyl)methyl]piperidin-2-one (PubChem CID 69081570) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 6-(2,6-dimethoxyphenyl)-1-[(3-pyridin-2-ylphenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name6-(2,6-dimethoxyphenyl)-1-[(3-pyridin-2-ylphenyl)methyl]piperidin-2-one
PubChem CID69081570
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name6-(2,6-dimethoxyphenyl)-1-[(3-pyridin-2-ylphenyl)methyl]piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(-c2ccccn2)c1
InChIInChI=1S/C25H26N2O3/c1-29-22-12-7-13-23(30-2)25(22)21-11-6-14-24(28)27(21)17-18-8-5-9-19(16-18)20-10-3-4-15-26-20/h3-5,7-10,12-13,15-16,21H,6,11,14,17H2,1-2H3
InChIKeyFUJVNLYASSNBHW-UHFFFAOYSA-N
XLogP5.02
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3E)-3-((2,4-Dimethoxyphenyl)methylene)-3,4,5,6-tetrahydro-2,3'-bipyridine
CID 5310985
5-(4-Fluorophenyl)-7,8-dihydro-N-(2-methoxybenzyl)-N,7-dimethyl-8-oxo-6-pyrido[3,4-b]pyridinecarboxamide
CID 9980171
3-(2,4,6-Trimethoxybenzylidene)anabaseine
CID 11595246
6-(2,6-Dimethoxyphenyl)-1-((2-phenylpyridin-4-yl)methyl)piperidin-2-one
CID 69080156
6-(2,6-Dimethoxyphenyl)-1-((2-(thiazol-2-yl)pyridin-4-yl)methyl)piperidin-2-one
CID 69081742
6-(2,6-Dimethoxyphenyl)-1-(quinolin-2-ylmethyl)piperidin-2-one
CID 69081964
6-(2,6-Dimethoxyphenyl)-1-(quinolin-6-ylmethyl)piperidin-2-one
CID 69082681
6-(2,6-Dimethoxyphenyl)-1-(quinolin-3-ylmethyl)piperidin-2-one
CID 69084152
6-(2,6-Dimethoxyphenyl)-1-(3-(pyrimidin-2-yl)benzyl)piperidin-2-one
CID 69085047
6-(2,6-Dimethoxyphenyl)-1-((6-phenylpyridin-2-yl)methyl)piperidin-2-one
CID 69085726
5-[4-[(Dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-methyl-1,7-naphthyridin-8-one
CID 127051726
8-[4-[(Dimethylamino)methyl]-3,5-dimethoxyphenyl]-6-methyl-1,6-naphthyridin-5-one
CID 127052023

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethoxyphenyl)-1-[(3-pyridin-2-ylphenyl)methyl]piperidin-2-one?
The IUPAC name of 6-(2,6-dimethoxyphenyl)-1-[(3-pyridin-2-ylphenyl)methyl]piperidin-2-one (CID 69081570) is 6-(2,6-dimethoxyphenyl)-1-[(3-pyridin-2-ylphenyl)methyl]piperidin-2-one.
What is the SMILES notation for 6-(2,6-dimethoxyphenyl)-1-[(3-pyridin-2-ylphenyl)methyl]piperidin-2-one?
The canonical SMILES for 6-(2,6-dimethoxyphenyl)-1-[(3-pyridin-2-ylphenyl)methyl]piperidin-2-one is COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(-c2ccccn2)c1.
What is the InChIKey of 6-(2,6-dimethoxyphenyl)-1-[(3-pyridin-2-ylphenyl)methyl]piperidin-2-one?
The InChIKey is FUJVNLYASSNBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-29-22-12-7-13-23(30-2)25(22)21-11-6-14-24(28)27(21)17-18-8-5-9-19(16-18)20-10-3-4-15-26-20/h3-5,7-10,12-13,15-16,21H,6,11,14,17H2,1-2H3.
What are the key properties of 6-(2,6-dimethoxyphenyl)-1-[(3-pyridin-2-ylphenyl)methyl]piperidin-2-one?
6-(2,6-dimethoxyphenyl)-1-[(3-pyridin-2-ylphenyl)methyl]piperidin-2-one has a molecular weight of 402.49 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethoxyphenyl)-1-[(3-pyridin-2-ylphenyl)methyl]piperidin-2-one is sourced from PubChem (CID 69081570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).