6-(2,6-dimethoxyphenyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidin-2-one

C25H25FN2O3 — CID 69083525

IUPAC6-(2,6-dimethoxyphenyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc(F)c(-c2ccccn2)c1
InChIInChI=1S/C25H25FN2O3/c1-30-22-9-6-10-23(31-2)25(22)21-8-5-11-24(29)28(21)16-17-12-13-19(26)18(15-17)20-7-3-4-14-27-20/h3-4,6-7,9-10,12-15,21H,5,8,11,16H2,1-2H3
InChIKeyHNAXXWBRRKDQGR-UHFFFAOYSA-N
MW420.48 g/mol
LogP5.16
Rot. Bonds6

About 6-(2,6-dimethoxyphenyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidin-2-one

6-(2,6-dimethoxyphenyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidin-2-one (PubChem CID 69083525) has the molecular formula C25H25FN2O3 and a molecular weight of 420.48 g/mol. Its IUPAC name is 6-(2,6-dimethoxyphenyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name6-(2,6-dimethoxyphenyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidin-2-one
PubChem CID69083525
Molecular FormulaC25H25FN2O3
Molecular Weight420.48 g/mol
Exact Mass420.18
IUPAC Name6-(2,6-dimethoxyphenyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc(F)c(-c2ccccn2)c1
InChIInChI=1S/C25H25FN2O3/c1-30-22-9-6-10-23(31-2)25(22)21-8-5-11-24(29)28(21)16-17-12-13-19(26)18(15-17)20-7-3-4-14-27-20/h3-4,6-7,9-10,12-15,21H,5,8,11,16H2,1-2H3
InChIKeyHNAXXWBRRKDQGR-UHFFFAOYSA-N
XLogP5.16
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.48
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethoxyphenyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidin-2-one?
The IUPAC name of 6-(2,6-dimethoxyphenyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidin-2-one (CID 69083525) is 6-(2,6-dimethoxyphenyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidin-2-one.
What is the SMILES notation for 6-(2,6-dimethoxyphenyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidin-2-one?
The canonical SMILES for 6-(2,6-dimethoxyphenyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidin-2-one is COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc(F)c(-c2ccccn2)c1.
What is the InChIKey of 6-(2,6-dimethoxyphenyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidin-2-one?
The InChIKey is HNAXXWBRRKDQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O3/c1-30-22-9-6-10-23(31-2)25(22)21-8-5-11-24(29)28(21)16-17-12-13-19(26)18(15-17)20-7-3-4-14-27-20/h3-4,6-7,9-10,12-15,21H,5,8,11,16H2,1-2H3.
What are the key properties of 6-(2,6-dimethoxyphenyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidin-2-one?
6-(2,6-dimethoxyphenyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidin-2-one has a molecular weight of 420.48 g/mol, XLogP of 5.16, 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-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidin-2-one is sourced from PubChem (CID 69083525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).