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

C25H32N2O3 — CID 69083450

IUPAC6-(2,6-dimethoxyphenyl)-1-[(3-piperidin-1-ylphenyl)methyl]piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(N2CCCCC2)c1
InChIInChI=1S/C25H32N2O3/c1-29-22-12-8-13-23(30-2)25(22)21-11-7-14-24(28)27(21)18-19-9-6-10-20(17-19)26-15-4-3-5-16-26/h6,8-10,12-13,17,21H,3-5,7,11,14-16,18H2,1-2H3
InChIKeyFSJIJHVMTMAXFG-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.95
Rot. Bonds6

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

6-(2,6-dimethoxyphenyl)-1-[(3-piperidin-1-ylphenyl)methyl]piperidin-2-one (PubChem CID 69083450) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 6-(2,6-dimethoxyphenyl)-1-[(3-piperidin-1-ylphenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name6-(2,6-dimethoxyphenyl)-1-[(3-piperidin-1-ylphenyl)methyl]piperidin-2-one
PubChem CID69083450
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name6-(2,6-dimethoxyphenyl)-1-[(3-piperidin-1-ylphenyl)methyl]piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(N2CCCCC2)c1
InChIInChI=1S/C25H32N2O3/c1-29-22-12-8-13-23(30-2)25(22)21-11-7-14-24(28)27(21)18-19-9-6-10-20(17-19)26-15-4-3-5-16-26/h6,8-10,12-13,17,21H,3-5,7,11,14-16,18H2,1-2H3
InChIKeyFSJIJHVMTMAXFG-UHFFFAOYSA-N
XLogP4.95
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.95
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-[(3-piperidin-1-ylphenyl)methyl]piperidin-2-one?
The IUPAC name of 6-(2,6-dimethoxyphenyl)-1-[(3-piperidin-1-ylphenyl)methyl]piperidin-2-one (CID 69083450) is 6-(2,6-dimethoxyphenyl)-1-[(3-piperidin-1-ylphenyl)methyl]piperidin-2-one.
What is the SMILES notation for 6-(2,6-dimethoxyphenyl)-1-[(3-piperidin-1-ylphenyl)methyl]piperidin-2-one?
The canonical SMILES for 6-(2,6-dimethoxyphenyl)-1-[(3-piperidin-1-ylphenyl)methyl]piperidin-2-one is COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(N2CCCCC2)c1.
What is the InChIKey of 6-(2,6-dimethoxyphenyl)-1-[(3-piperidin-1-ylphenyl)methyl]piperidin-2-one?
The InChIKey is FSJIJHVMTMAXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-29-22-12-8-13-23(30-2)25(22)21-11-7-14-24(28)27(21)18-19-9-6-10-20(17-19)26-15-4-3-5-16-26/h6,8-10,12-13,17,21H,3-5,7,11,14-16,18H2,1-2H3.
What are the key properties of 6-(2,6-dimethoxyphenyl)-1-[(3-piperidin-1-ylphenyl)methyl]piperidin-2-one?
6-(2,6-dimethoxyphenyl)-1-[(3-piperidin-1-ylphenyl)methyl]piperidin-2-one has a molecular weight of 408.54 g/mol, XLogP of 4.95, 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-piperidin-1-ylphenyl)methyl]piperidin-2-one is sourced from PubChem (CID 69083450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).