6-(2,6-dimethoxyphenyl)-1-(quinolin-3-ylmethyl)piperidin-2-one

C23H24N2O3 — CID 69084152

IUPAC6-(2,6-dimethoxyphenyl)-1-(quinolin-3-ylmethyl)piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1cnc2ccccc2c1
InChIInChI=1S/C23H24N2O3/c1-27-20-10-6-11-21(28-2)23(20)19-9-5-12-22(26)25(19)15-16-13-17-7-3-4-8-18(17)24-14-16/h3-4,6-8,10-11,13-14,19H,5,9,12,15H2,1-2H3
InChIKeyCPWNIYYRTPFXMI-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.51
Rot. Bonds5

About 6-(2,6-dimethoxyphenyl)-1-(quinolin-3-ylmethyl)piperidin-2-one

6-(2,6-dimethoxyphenyl)-1-(quinolin-3-ylmethyl)piperidin-2-one (PubChem CID 69084152) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-(2,6-dimethoxyphenyl)-1-(quinolin-3-ylmethyl)piperidin-2-one.

Molecular Properties

Compound Name6-(2,6-dimethoxyphenyl)-1-(quinolin-3-ylmethyl)piperidin-2-one
PubChem CID69084152
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name6-(2,6-dimethoxyphenyl)-1-(quinolin-3-ylmethyl)piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1cnc2ccccc2c1
InChIInChI=1S/C23H24N2O3/c1-27-20-10-6-11-21(28-2)23(20)19-9-5-12-22(26)25(19)15-16-13-17-7-3-4-8-18(17)24-14-16/h3-4,6-8,10-11,13-14,19H,5,9,12,15H2,1-2H3
InChIKeyCPWNIYYRTPFXMI-UHFFFAOYSA-N
XLogP4.51
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.51
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-(quinolin-3-ylmethyl)piperidin-2-one?
The IUPAC name of 6-(2,6-dimethoxyphenyl)-1-(quinolin-3-ylmethyl)piperidin-2-one (CID 69084152) is 6-(2,6-dimethoxyphenyl)-1-(quinolin-3-ylmethyl)piperidin-2-one.
What is the SMILES notation for 6-(2,6-dimethoxyphenyl)-1-(quinolin-3-ylmethyl)piperidin-2-one?
The canonical SMILES for 6-(2,6-dimethoxyphenyl)-1-(quinolin-3-ylmethyl)piperidin-2-one is COc1cccc(OC)c1C1CCCC(=O)N1Cc1cnc2ccccc2c1.
What is the InChIKey of 6-(2,6-dimethoxyphenyl)-1-(quinolin-3-ylmethyl)piperidin-2-one?
The InChIKey is CPWNIYYRTPFXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-27-20-10-6-11-21(28-2)23(20)19-9-5-12-22(26)25(19)15-16-13-17-7-3-4-8-18(17)24-14-16/h3-4,6-8,10-11,13-14,19H,5,9,12,15H2,1-2H3.
What are the key properties of 6-(2,6-dimethoxyphenyl)-1-(quinolin-3-ylmethyl)piperidin-2-one?
6-(2,6-dimethoxyphenyl)-1-(quinolin-3-ylmethyl)piperidin-2-one has a molecular weight of 376.46 g/mol, XLogP of 4.51, 5 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-(quinolin-3-ylmethyl)piperidin-2-one is sourced from PubChem (CID 69084152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).