6-(2,6-dimethoxyphenyl)-1-[(4-phenyl-2-pyridinyl)methyl]piperidin-2-one

C25H26N2O3 — CID 69085337

IUPAC6-(2,6-dimethoxyphenyl)-1-[(4-phenyl-2-pyridinyl)methyl]piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1cc(-c2ccccc2)ccn1
InChIInChI=1S/C25H26N2O3/c1-29-22-11-7-12-23(30-2)25(22)21-10-6-13-24(28)27(21)17-20-16-19(14-15-26-20)18-8-4-3-5-9-18/h3-5,7-9,11-12,14-16,21H,6,10,13,17H2,1-2H3
InChIKeyZKGNZWCAJMKJBM-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.02
Rot. Bonds6

About 6-(2,6-dimethoxyphenyl)-1-[(4-phenyl-2-pyridinyl)methyl]piperidin-2-one

6-(2,6-dimethoxyphenyl)-1-[(4-phenyl-2-pyridinyl)methyl]piperidin-2-one (PubChem CID 69085337) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 6-(2,6-dimethoxyphenyl)-1-[(4-phenyl-2-pyridinyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name6-(2,6-dimethoxyphenyl)-1-[(4-phenyl-2-pyridinyl)methyl]piperidin-2-one
PubChem CID69085337
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name6-(2,6-dimethoxyphenyl)-1-[(4-phenyl-2-pyridinyl)methyl]piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1cc(-c2ccccc2)ccn1
InChIInChI=1S/C25H26N2O3/c1-29-22-11-7-12-23(30-2)25(22)21-10-6-13-24(28)27(21)17-20-16-19(14-15-26-20)18-8-4-3-5-9-18/h3-5,7-9,11-12,14-16,21H,6,10,13,17H2,1-2H3
InChIKeyZKGNZWCAJMKJBM-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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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethoxyphenyl)-1-[(4-phenyl-2-pyridinyl)methyl]piperidin-2-one?
The IUPAC name of 6-(2,6-dimethoxyphenyl)-1-[(4-phenyl-2-pyridinyl)methyl]piperidin-2-one (CID 69085337) is 6-(2,6-dimethoxyphenyl)-1-[(4-phenyl-2-pyridinyl)methyl]piperidin-2-one.
What is the SMILES notation for 6-(2,6-dimethoxyphenyl)-1-[(4-phenyl-2-pyridinyl)methyl]piperidin-2-one?
The canonical SMILES for 6-(2,6-dimethoxyphenyl)-1-[(4-phenyl-2-pyridinyl)methyl]piperidin-2-one is COc1cccc(OC)c1C1CCCC(=O)N1Cc1cc(-c2ccccc2)ccn1.
What is the InChIKey of 6-(2,6-dimethoxyphenyl)-1-[(4-phenyl-2-pyridinyl)methyl]piperidin-2-one?
The InChIKey is ZKGNZWCAJMKJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-29-22-11-7-12-23(30-2)25(22)21-10-6-13-24(28)27(21)17-20-16-19(14-15-26-20)18-8-4-3-5-9-18/h3-5,7-9,11-12,14-16,21H,6,10,13,17H2,1-2H3.
What are the key properties of 6-(2,6-dimethoxyphenyl)-1-[(4-phenyl-2-pyridinyl)methyl]piperidin-2-one?
6-(2,6-dimethoxyphenyl)-1-[(4-phenyl-2-pyridinyl)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-[(4-phenyl-2-pyridinyl)methyl]piperidin-2-one is sourced from PubChem (CID 69085337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).